1-methoxy-1,2-bis(prop-2-enyl)cyclohexane

C13H22O — CID 11116930

IUPAC1-methoxy-1,2-bis(prop-2-enyl)cyclohexane
SMILESC=CCC1CCCCC1(CC=C)OC
InChIInChI=1S/C13H22O/c1-4-8-12-9-6-7-11-13(12,14-3)10-5-2/h4-5,12H,1-2,6-11H2,3H3
InChIKeyQNNGLVHJNYFHDF-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.71
Rot. Bonds5

About 1-methoxy-1,2-bis(prop-2-enyl)cyclohexane

1-methoxy-1,2-bis(prop-2-enyl)cyclohexane (PubChem CID 11116930) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-methoxy-1,2-bis(prop-2-enyl)cyclohexane.

Molecular Properties

Compound Name1-methoxy-1,2-bis(prop-2-enyl)cyclohexane
PubChem CID11116930
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name1-methoxy-1,2-bis(prop-2-enyl)cyclohexane
SMILESC=CCC1CCCCC1(CC=C)OC
InChIInChI=1S/C13H22O/c1-4-8-12-9-6-7-11-13(12,14-3)10-5-2/h4-5,12H,1-2,6-11H2,3H3
InChIKeyQNNGLVHJNYFHDF-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.71
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

1-Allyl-1-methoxy-cyclohexane
CID 10964733
2-Ethenyl-1-fluoro-1-methoxycyclohexane
CID 150439325
1-Allyl-2-methylcyclohexanol
CID 6422231
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
4-But-3-enyl-1-oxaspiro[2.5]octane
CID 11480652
cis-(1S,2R)-1-ethenyl-2-methoxycyclohexane
CID 14291129
trans-(1R,2R)-1-ethenyl-2-methoxycyclohexane
CID 14291130
(3S,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane
CID 15011476
(3R,4S)-4-(2-methylprop-2-enyl)-1-oxaspiro[2.5]octane
CID 15011477
1-Hexoxy-1-prop-2-enylcyclohexane
CID 15174031
(3R,4S)-4-prop-2-enyl-1-oxaspiro[2.5]octane
CID 15937102
(4aS,8aS)-8a-prop-2-enyl-4,4a,5,6,7,8-hexahydrochromene
CID 102326052

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1,2-bis(prop-2-enyl)cyclohexane?
The IUPAC name of 1-methoxy-1,2-bis(prop-2-enyl)cyclohexane (CID 11116930) is 1-methoxy-1,2-bis(prop-2-enyl)cyclohexane.
What is the SMILES notation for 1-methoxy-1,2-bis(prop-2-enyl)cyclohexane?
The canonical SMILES for 1-methoxy-1,2-bis(prop-2-enyl)cyclohexane is C=CCC1CCCCC1(CC=C)OC.
What is the InChIKey of 1-methoxy-1,2-bis(prop-2-enyl)cyclohexane?
The InChIKey is QNNGLVHJNYFHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-8-12-9-6-7-11-13(12,14-3)10-5-2/h4-5,12H,1-2,6-11H2,3H3.
What are the key properties of 1-methoxy-1,2-bis(prop-2-enyl)cyclohexane?
1-methoxy-1,2-bis(prop-2-enyl)cyclohexane has a molecular weight of 194.32 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,2-bis(prop-2-enyl)cyclohexane is sourced from PubChem (CID 11116930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).