(1R,5R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane

• ChemBase编号: 177667
• 分子式: C10H16
• 平均质量: 136.23404
• 单一同位素质量: 136.12520051
• SMILES: [C@]12([C@@H](C(=C)CC1)C2)C(C)C
• Canonical SMILES: C=C1CC[C@]2([C@@H]1C2)C(C)C
• InChI: InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1
• InChIKey: NDVASEGYNIMXJL-NXEZZACHSA-N

名称和登记号

名称

• IUPAC标准名: (1R,5R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexane
• IUPAC传统名: (+)-sabinene
• 别名: (1R,5R)-4-Methylene-1-(1-methylethyl)bicyclo[3.1.0]hexane; (1R,5R)-(+)-4(10)-Thujene; d-4(10)-Thujene; (1R,5R)-(+)-Sabinene; d-Sabinene; (+)-Sabinene

登记号

• CAS号: 2009-00-9
• PubChem SID: 164233577
• PubChem CID: 10887971

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 2.859595
• LogD (pH = 7.4): 2.859595
• Log P: 2.859595
• 摩尔折射率: 43.6498 cm^3
• 极化性: 17.495043 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - S080750

A component of juniper berry oil having antibacterial and antifungal activity.

参考文献

• Janssen, A., et al.: Planta Med., 53, 395 (1987)
• Lis-Balchin, M., et al.: Med. Sci. Res., 24, 309 (1987)
• Nelson, R., et al.: J. Antimicrob. Chemoth., 40, 305 (1987)
• Lis-Balchin, M., et al.: J. Essent. Oil Res., 11, 393 (1987)