ethane;1-(2-methylpentyl)cyclohexene

C14H28 — CID 144539810

IUPACethane;1-(2-methylpentyl)cyclohexene
SMILESCC.CCCC(C)CC1=CCCCC1
InChIInChI=1S/C12H22.C2H6/c1-3-7-11(2)10-12-8-5-4-6-9-12;1-2/h8,11H,3-7,9-10H2,1-2H3;1-2H3
InChIKeyQDBWQNQYQPWSAM-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.34
Rot. Bonds4

About ethane;1-(2-methylpentyl)cyclohexene

ethane;1-(2-methylpentyl)cyclohexene (PubChem CID 144539810) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is ethane;1-(2-methylpentyl)cyclohexene.

Molecular Properties

Compound Nameethane;1-(2-methylpentyl)cyclohexene
PubChem CID144539810
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Nameethane;1-(2-methylpentyl)cyclohexene
SMILESCC.CCCC(C)CC1=CCCCC1
InChIInChI=1S/C12H22.C2H6/c1-3-7-11(2)10-12-8-5-4-6-9-12;1-2/h8,11H,3-7,9-10H2,1-2H3;1-2H3
InChIKeyQDBWQNQYQPWSAM-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.34
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

1-(cyclohexen-1-yl)-3-methylhexan-2-ol
CID 107893039
1-(cyclohexen-1-yl)pentan-2-ylhydrazine
CID 105269890
1-(cyclohexen-1-yl)-4-methylheptan-2-one
CID 116659771
1-(cyclohexen-1-yl)dodecan-2-amine
CID 116661293
1-(cyclohexen-1-yl)-2-deuteriopropan-2-ol
CID 12622752
3-(2-methylpentyl)cyclohept-2-en-1-ol
CID 107383651
1-(cyclohexen-1-yl)-N-ethyl-4-methylhexan-2-amine
CID 116661870
N-(cyclohepten-1-ylmethyl)propan-2-amine
CID 106653004
3-(cyclohexen-1-yl)-2-methylpropanoic acid
CID 54053706
1-(cyclohexen-1-yl)-4-methylpentan-2-ol
CID 12869932
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766
1-(2-phenylbutyl)cycloheptene
CID 143290808

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-methylpentyl)cyclohexene?
The IUPAC name of ethane;1-(2-methylpentyl)cyclohexene (CID 144539810) is ethane;1-(2-methylpentyl)cyclohexene.
What is the SMILES notation for ethane;1-(2-methylpentyl)cyclohexene?
The canonical SMILES for ethane;1-(2-methylpentyl)cyclohexene is CC.CCCC(C)CC1=CCCCC1.
What is the InChIKey of ethane;1-(2-methylpentyl)cyclohexene?
The InChIKey is QDBWQNQYQPWSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.C2H6/c1-3-7-11(2)10-12-8-5-4-6-9-12;1-2/h8,11H,3-7,9-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(2-methylpentyl)cyclohexene?
ethane;1-(2-methylpentyl)cyclohexene has a molecular weight of 196.38 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-methylpentyl)cyclohexene is sourced from PubChem (CID 144539810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).