ethane;3-methylcyclohexene

C11H24 — CID 145337562

IUPACethane;3-methylcyclohexene
SMILESCC.CC.CC1C=CCCC1
InChIInChI=1S/C7H12.2C2H6/c1-7-5-3-2-4-6-7;2*1-2/h3,5,7H,2,4,6H2,1H3;2*1-2H3
InChIKeyOAEVMJRHJCCJKU-UHFFFAOYSA-N
MW156.31 g/mol
LogP4.41
Rot. Bonds

About ethane;3-methylcyclohexene

ethane;3-methylcyclohexene (PubChem CID 145337562) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is ethane;3-methylcyclohexene.

Molecular Properties

Compound Nameethane;3-methylcyclohexene
PubChem CID145337562
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Nameethane;3-methylcyclohexene
SMILESCC.CC.CC1C=CCCC1
InChIInChI=1S/C7H12.2C2H6/c1-7-5-3-2-4-6-7;2*1-2/h3,5,7H,2,4,6H2,1H3;2*1-2H3
InChIKeyOAEVMJRHJCCJKU-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-3-methylcyclooctene
CID 5352586
(1E)-3-methylcyclodecene
CID 5352563
3-methylcycloundecene
CID 54531806
(1Z)-3-methylcyclodecene
CID 6430931
(1Z)-3-methylcyclopentadecene
CID 140520640
(3R)-3-methylcyclohexene;pyrrolidine
CID 143477077
methanol;3-methylcyclohexene;propan-2-ol
CID 142978987
(3S)-3-methylcyclopentene
CID 11018803
ethane;(1Z,3Z)-5-methylcyclonona-1,3-diene
CID 143054449
3-methylcyclopentadec-1-en-8-yne
CID 123715126
butane;3-methylcyclopentene
CID 143221247
(1Z)-3,6-dimethylcyclooctene
CID 159575743

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylcyclohexene?
The IUPAC name of ethane;3-methylcyclohexene (CID 145337562) is ethane;3-methylcyclohexene.
What is the SMILES notation for ethane;3-methylcyclohexene?
The canonical SMILES for ethane;3-methylcyclohexene is CC.CC.CC1C=CCCC1.
What is the InChIKey of ethane;3-methylcyclohexene?
The InChIKey is OAEVMJRHJCCJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.2C2H6/c1-7-5-3-2-4-6-7;2*1-2/h3,5,7H,2,4,6H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methylcyclohexene?
ethane;3-methylcyclohexene has a molecular weight of 156.31 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methylcyclohexene is sourced from PubChem (CID 145337562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).