2-methylhex-5-enylcyclohexane

C13H24 — CID 142828676

IUPAC2-methylhex-5-enylcyclohexane
SMILESC=CCCC(C)CC1CCCCC1
InChIInChI=1S/C13H24/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3,12-13H,1,4-11H2,2H3
InChIKeyWQILFBPIOGNVIZ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds5

About 2-methylhex-5-enylcyclohexane

2-methylhex-5-enylcyclohexane (PubChem CID 142828676) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 2-methylhex-5-enylcyclohexane.

Molecular Properties

Compound Name2-methylhex-5-enylcyclohexane
PubChem CID142828676
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name2-methylhex-5-enylcyclohexane
SMILESC=CCCC(C)CC1CCCCC1
InChIInChI=1S/C13H24/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3,12-13H,1,4-11H2,2H3
InChIKeyWQILFBPIOGNVIZ-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
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-cyclohexyl-2-methylhex-5-en-1-ol
CID 142828670
azane;2-methylbutylcyclohexane
CID 143986613
(3-bromo-2-methylpropyl)cyclohexane
CID 64670797
4-cyclopentyl-3-methyl-N-propan-2-ylbutan-1-amine
CID 81019294
1-cyclohexylhept-6-en-3-ol
CID 115804677
but-3-enylcyclododecane
CID 54074675
1-cyclopentyl-N-propylhex-5-en-2-amine
CID 104987521
4-cyclohexyl-3-methyl-N-propylbutan-1-amine
CID 81019280
bis(2-methylpropylcyclohexane);2-methylpropylcyclopentane
CID 159474199
6-cyclohexyl-5-methylhexanoic acid
CID 70072548
N-(2-methylhex-5-enyl)cyclopropanamine
CID 64663946
2-cyclohexylhex-5-en-1-amine
CID 66694648

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-5-enylcyclohexane?
The IUPAC name of 2-methylhex-5-enylcyclohexane (CID 142828676) is 2-methylhex-5-enylcyclohexane.
What is the SMILES notation for 2-methylhex-5-enylcyclohexane?
The canonical SMILES for 2-methylhex-5-enylcyclohexane is C=CCCC(C)CC1CCCCC1.
What is the InChIKey of 2-methylhex-5-enylcyclohexane?
The InChIKey is WQILFBPIOGNVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-4-8-12(2)11-13-9-6-5-7-10-13/h3,12-13H,1,4-11H2,2H3.
What are the key properties of 2-methylhex-5-enylcyclohexane?
2-methylhex-5-enylcyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-5-enylcyclohexane is sourced from PubChem (CID 142828676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).