(1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol

C12H20O — CID 102076031

IUPAC(1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
SMILESC=CC[C@]1(C(C)C)C[C@H]2C[C@H]2[C@@H]1O
InChIInChI=1S/C12H20O/c1-4-5-12(8(2)3)7-9-6-10(9)11(12)13/h4,8-11,13H,1,5-7H2,2-3H3/t9-,10-,11+,12-/m1/s1
InChIKeyXUPGMJHPDJYAJM-WISYIIOYSA-N
MW180.29 g/mol
LogP2.61
Rot. Bonds3

About (1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol

(1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol (PubChem CID 102076031) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
PubChem CID102076031
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
SMILESC=CC[C@]1(C(C)C)C[C@H]2C[C@H]2[C@@H]1O
InChIInChI=1S/C12H20O/c1-4-5-12(8(2)3)7-9-6-10(9)11(12)13/h4,8-11,13H,1,5-7H2,2-3H3/t9-,10-,11+,12-/m1/s1
InChIKeyXUPGMJHPDJYAJM-WISYIIOYSA-N
XLogP2.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,3S,5R)-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol
CID 102073496
1-Methyl-4-isopropenylbicyclo[3.1.0]hexan-2-ol
CID 12955798
3-Ethenyl-2,2-dimethylcyclohexan-1-ol
CID 14644835
(1R,2R,5S,6S)-6-ethenyl-4,4-dimethylbicyclo[3.1.0]hexan-2-ol
CID 102076038
1-Methyl-4-isopropyl-phenylbicyclo[3.1.0]-2-hexanol
CID 129803285
1-[(1s,2R,5S)-2,5-Diethenyl-1-methylcyclopentyl]ethan-1-ol
CID 130918738
trans-(1S,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
CID 134860985
cis-(1R,2R)-2-[(2S)-4-hydroxybutan-2-yl]-4,4-dimethyl-2-prop-2-enylcyclopentan-1-ol
CID 134861047
1-[(2R,5S)-2,5-bis(ethenyl)-1-methylcyclopentyl]propan-2-ol
CID 135036759
(1R,2R,5S)-5-[(2S)-6-methylhept-5-en-2-yl]bicyclo[3.1.0]hexan-2-ol
CID 53360806
2-[(1R,3R,5S)-3,6,6-trimethyl-2-methylidene-3-bicyclo[3.1.0]hexanyl]ethanol
CID 11644027
3-Methyl-1-(1,2,2-trimethyl-3-bicyclo[3.1.0]hexanyl)pent-4-en-2-ol
CID 21993092

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol (CID 102076031) is (1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol is C=CC[C@]1(C(C)C)C[C@H]2C[C@H]2[C@@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
The InChIKey is XUPGMJHPDJYAJM-WISYIIOYSA-N. The full InChI is InChI=1S/C12H20O/c1-4-5-12(8(2)3)7-9-6-10(9)11(12)13/h4,8-11,13H,1,5-7H2,2-3H3/t9-,10-,11+,12-/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol?
(1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol has a molecular weight of 180.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-propan-2-yl-3-prop-2-enylbicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 102076031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).