hept-1-en-3-ylcyclohexane

C13H24 — CID 14566870

IUPAChept-1-en-3-ylcyclohexane
SMILESC=CC(CCCC)C1CCCCC1
InChIInChI=1S/C13H24/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h4,12-13H,2-3,5-11H2,1H3
InChIKeyIKDVYJJBKSVZES-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds5

About hept-1-en-3-ylcyclohexane

hept-1-en-3-ylcyclohexane (PubChem CID 14566870) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is hept-1-en-3-ylcyclohexane.

Molecular Properties

Compound Namehept-1-en-3-ylcyclohexane
PubChem CID14566870
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Namehept-1-en-3-ylcyclohexane
SMILESC=CC(CCCC)C1CCCCC1
InChIInChI=1S/C13H24/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h4,12-13H,2-3,5-11H2,1H3
InChIKeyIKDVYJJBKSVZES-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

1,2,4-Trivinylcyclohexane
CID 96529
Allylcyclohexane
CID 75027
Cyclohexane, 1-methylene-4-(1-methylethenyl)-
CID 68140
10-Methyl-1-undecene
CID 519941
8-Methyldec-1-ene
CID 521957
3,4-Dimethyl-1-decene
CID 545635
1-Methyl-4-(1-methylethenyl)cyclohexane
CID 14299
3-(2-Methylpropyl)cyclohex-1-ene
CID 20057
4,6,8-Trimethyl-1-nonene
CID 41077
p-Menth-1(7)-ene
CID 517973
2-Menthene
CID 517974
8-Methyl-1-undecene
CID 522552

Frequently Asked Questions

What is the IUPAC name of hept-1-en-3-ylcyclohexane?
The IUPAC name of hept-1-en-3-ylcyclohexane (CID 14566870) is hept-1-en-3-ylcyclohexane.
What is the SMILES notation for hept-1-en-3-ylcyclohexane?
The canonical SMILES for hept-1-en-3-ylcyclohexane is C=CC(CCCC)C1CCCCC1.
What is the InChIKey of hept-1-en-3-ylcyclohexane?
The InChIKey is IKDVYJJBKSVZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h4,12-13H,2-3,5-11H2,1H3.
What are the key properties of hept-1-en-3-ylcyclohexane?
hept-1-en-3-ylcyclohexane 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 hept-1-en-3-ylcyclohexane is sourced from PubChem (CID 14566870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).