(1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane

C13H20O — CID 101077777

IUPAC(1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane
SMILESCOC1(C2=CCCCC2)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C13H20O/c1-14-13(10-6-3-2-4-7-10)11-8-5-9-12(11)13/h6,11-12H,2-5,7-9H2,1H3/t11-,12+,13?
InChIKeyGLGIWDYKNSTOJN-FUNVUKJBSA-N
MW192.30 g/mol
LogP3.30
Rot. Bonds2

About (1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane

(1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane (PubChem CID 101077777) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane
PubChem CID101077777
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane
SMILESCOC1(C2=CCCCC2)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C13H20O/c1-14-13(10-6-3-2-4-7-10)11-8-5-9-12(11)13/h6,11-12H,2-5,7-9H2,1H3/t11-,12+,13?
InChIKeyGLGIWDYKNSTOJN-FUNVUKJBSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (1S,2S,3S,4S,5S,6S)-1,2-di(cyclohexen-1-yl)tricyclo[3.1.0.02,4]hexane-3,6-dicarboxylate
CID 10383650
4-(cyclohexen-1-yl)-4-methyl-2,3,3a,5,6,6a-hexahydro-1H-pentalen-1-ol
CID 134192898
1-(cyclohexen-1-yl)-4,4-dimethylcyclohexan-1-ol
CID 106651138
1-(cycloocten-1-yl)-2-methylcyclohexan-1-ol
CID 106650767
1-(cyclohexen-1-yl)-3-propylbicyclo[2.2.0]hexane
CID 163848568
1-[1-(cyclohexen-1-yl)cyclopenta-2,4-dien-1-yl]-4-methylcyclohexene
CID 91042772
tert-butyl-[[(1S,2S)-2-(cyclohexen-1-yl)-2-methoxycyclopropyl]methoxy]-dimethylsilane
CID 101077758
1-(cyclohepten-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 106651160
2-(cyclohexen-1-yl)-2-ethylpyrrolidine
CID 106653516
3-(cyclohexen-1-yl)-3-methyloxirane-2-carbonitrile
CID 85348686
1-(1-cyclopenta-1,3-dien-1-ylcyclohexyl)cycloheptene
CID 101421845
methyl (5S,7R)-3-(cyclohexen-1-yl)adamantane-1-carboxylate
CID 101117887

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane (CID 101077777) is (1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane is COC1(C2=CCCCC2)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane?
The InChIKey is GLGIWDYKNSTOJN-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H20O/c1-14-13(10-6-3-2-4-7-10)11-8-5-9-12(11)13/h6,11-12H,2-5,7-9H2,1H3/t11-,12+,13?.
What are the key properties of (1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane?
(1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane has a molecular weight of 192.30 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(cyclohexen-1-yl)-6-methoxybicyclo[3.1.0]hexane is sourced from PubChem (CID 101077777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).