cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol

C18H28O2 — CID 14468530

IUPACcis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol
SMILESC=C[C@]1(O)CCCC[C@@H]1C1=C[C@H]2[C@@H](C[C@H]1OC)C2(C)C
InChIInChI=1S/C18H28O2/c1-5-18(19)9-7-6-8-13(18)12-10-14-15(17(14,2)3)11-16(12)20-4/h5,10,13-16,19H,1,6-9,11H2,2-4H3/t13-,14+,15-,16-,18+/m1/s1
InChIKeyUFTZBGUGBMLGCF-DXWTWGPWSA-N
MW276.42 g/mol
LogP3.71
Rot. Bonds3

About cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol

cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol (PubChem CID 14468530) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol
PubChem CID14468530
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Namecis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol
SMILESC=C[C@]1(O)CCCC[C@@H]1C1=C[C@H]2[C@@H](C[C@H]1OC)C2(C)C
InChIInChI=1S/C18H28O2/c1-5-18(19)9-7-6-8-13(18)12-10-14-15(17(14,2)3)11-16(12)20-4/h5,10,13-16,19H,1,6-9,11H2,2-4H3/t13-,14+,15-,16-,18+/m1/s1
InChIKeyUFTZBGUGBMLGCF-DXWTWGPWSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol with MolForge

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Related Compounds

cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
CID 14219057
2-[(E)-but-2-en-2-yl]-1-ethenylcyclohexan-1-ol
CID 134858730
[(1R,4R,6R)-4-(methoxymethoxy)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl] prop-2-enyl carbonate
CID 101084791
trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol
CID 10702229
2-[(2-ethenyl-2-hydroxycyclohexyl)-methylamino]acetonitrile
CID 14194817
(1R,3S,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-en-3-ol
CID 124556662
(1S,2R,3R)-3-ethenyl-3-methylcyclohexane-1,2-diol
CID 155705531
methyl 2-chloro-2-(1-methyl-7-bicyclo[4.1.0]heptanylidene)acetate
CID 71326729
1-[(1S,3S,6R)-4,7,7-trimethyl-3-bicyclo[4.1.0]hept-4-enyl]ethanone
CID 40511718
9-methoxy-6-methylidene-2,3,4,5,7,8,9,9a-octahydro-1H-benzo[7]annulen-4a-ol
CID 14040245
1-ethenyl-4-methoxycyclohexan-1-ol
CID 12643103
4-ethenyl-1,2,2-trimethyl-4a,5,6,7,8,8a-hexahydro-3H-quinolin-4-ol
CID 23263133

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol (CID 14468530) is cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol is C=C[C@]1(O)CCCC[C@@H]1C1=C[C@H]2[C@@H](C[C@H]1OC)C2(C)C.
What is the InChIKey of cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol?
The InChIKey is UFTZBGUGBMLGCF-DXWTWGPWSA-N. The full InChI is InChI=1S/C18H28O2/c1-5-18(19)9-7-6-8-13(18)12-10-14-15(17(14,2)3)11-16(12)20-4/h5,10,13-16,19H,1,6-9,11H2,2-4H3/t13-,14+,15-,16-,18+/m1/s1.
What are the key properties of cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol?
cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-ethenyl-2-[(1S,4R,6R)-4-methoxy-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]cyclohexan-1-ol is sourced from PubChem (CID 14468530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).