(1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol

C10H16O — CID 102076038

IUPAC(1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol
SMILESC=C[C@@H]1[C@@H]2[C@H]1C(C)(C)C[C@H]2O
InChIInChI=1S/C10H16O/c1-4-6-8-7(11)5-10(2,3)9(6)8/h4,6-9,11H,1,5H2,2-3H3/t6-,7-,8+,9+/m1/s1
InChIKeyGLWXNPQIFPOLDB-HXFLIBJXSA-N
MW152.24 g/mol
LogP1.83
Rot. Bonds1

About (1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol

(1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol (PubChem CID 102076038) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol
PubChem CID102076038
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol
SMILESC=C[C@@H]1[C@@H]2[C@H]1C(C)(C)C[C@H]2O
InChIInChI=1S/C10H16O/c1-4-6-8-7(11)5-10(2,3)9(6)8/h4,6-9,11H,1,5H2,2-3H3/t6-,7-,8+,9+/m1/s1
InChIKeyGLWXNPQIFPOLDB-HXFLIBJXSA-N
XLogP1.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol with MolForge

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Related Compounds

Sabinol
CID 94147
4(10)-Thujen-3-ol, (1S,3R,5S)-(+)-
CID 564260
(-)-cis-Sabinol
CID 42626427
Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, [1S-(1alpha,3alpha,5alpha)]-(9CI)
CID 12315160
(3R)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol
CID 42626428
6,6-Dimethyl-5-methylidenebicyclo[2.2.1]heptan-2-ol
CID 85185505
Npc262978
CID 6429076
(1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
CID 102076031
S-cis-Sabinol
CID 6430772
(1R,5R)-1beta-Isopropyl-4-methylenebicyclo[3.1.0]hexan-3alpha-ol
CID 12315159
1-Methyl-4-isopropenylbicyclo[3.1.0]hexan-2-ol
CID 12955798
1,1,2,3,3-pentamethyl-5-prop-2-enyl-3a,4,5,6,7,7a-hexahydro-2H-inden-4-ol
CID 18008828

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol (CID 102076038) is (1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol is C=C[C@@H]1[C@@H]2[C@H]1C(C)(C)C[C@H]2O.
What is the InChIKey of (1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol?
The InChIKey is GLWXNPQIFPOLDB-HXFLIBJXSA-N. The full InChI is InChI=1S/C10H16O/c1-4-6-8-7(11)5-10(2,3)9(6)8/h4,6-9,11H,1,5H2,2-3H3/t6-,7-,8+,9+/m1/s1.
What are the key properties of (1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol?
(1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol has a molecular weight of 152.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 102076038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).