1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene

C13H20 — CID 154692074

IUPAC1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene
SMILESC=CC1=C(C=C)C(CC)CCC1C
InChIInChI=1S/C13H20/c1-5-11-9-8-10(4)12(6-2)13(11)7-3/h6-7,10-11H,2-3,5,8-9H2,1,4H3
InChIKeyKXURWYPTJWXMHD-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.11
Rot. Bonds3

About 1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene

1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene (PubChem CID 154692074) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene
PubChem CID154692074
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene
SMILESC=CC1=C(C=C)C(CC)CCC1C
InChIInChI=1S/C13H20/c1-5-11-9-8-10(4)12(6-2)13(11)7-3/h6-7,10-11H,2-3,5,8-9H2,1,4H3
InChIKeyKXURWYPTJWXMHD-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,2E,3R)-1-ethyl-2-(2-fluoroprop-2-enylidene)-3-methylcyclopentane
CID 174102634
trans-(2S,5R)-2-but-3-enyl-5-methylcyclopentan-1-one
CID 86338735
(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene
CID 145347236
(2E)-2-[(2R)-2-ethyl-7-methyl-4-propan-2-ylcycloheptylidene]but-3-enal
CID 122535959
2-(2-ethylcyclopentylidene)acetonitrile
CID 104865537
1,3-diethyl-2-methylidenecyclohexane
CID 58088314
(3R,6R)-3-ethyl-6-methylpiperidin-2-one
CID 122155636
trans-(2R,5S)-2-ethyl-5-methylcyclohexan-1-one
CID 99647050
1-ethenyl-3-ethylpyrrolidin-2-one
CID 14205343
but-1-ene;ethane;methylcyclopentane
CID 153403390
ethane;(2E)-1-ethyl-2-ethylidenecyclopentane
CID 91157114
ethene;2-ethenyl-3-methylcyclopent-2-en-1-amine
CID 142463301

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene?
The IUPAC name of 1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene (CID 154692074) is 1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene.
What is the SMILES notation for 1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene?
The canonical SMILES for 1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene is C=CC1=C(C=C)C(CC)CCC1C.
What is the InChIKey of 1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene?
The InChIKey is KXURWYPTJWXMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-5-11-9-8-10(4)12(6-2)13(11)7-3/h6-7,10-11H,2-3,5,8-9H2,1,4H3.
What are the key properties of 1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene?
1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene has a molecular weight of 176.30 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-3-ethyl-6-methylcyclohexene is sourced from PubChem (CID 154692074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).