4-(3-pentan-3-ylcyclohexyl)cyclohexene

C17H30 — CID 174503613

IUPAC4-(3-pentan-3-ylcyclohexyl)cyclohexene
SMILESCCC(CC)C1CCCC(C2CC=CCC2)C1
InChIInChI=1S/C17H30/c1-3-14(4-2)16-11-8-12-17(13-16)15-9-6-5-7-10-15/h5-6,14-17H,3-4,7-13H2,1-2H3
InChIKeySRVJNKZLXIBWPU-UHFFFAOYSA-N
MW234.43 g/mol
LogP5.59
Rot. Bonds4

About 4-(3-pentan-3-ylcyclohexyl)cyclohexene

4-(3-pentan-3-ylcyclohexyl)cyclohexene (PubChem CID 174503613) has the molecular formula C17H30 and a molecular weight of 234.43 g/mol. Its IUPAC name is 4-(3-pentan-3-ylcyclohexyl)cyclohexene.

Molecular Properties

Compound Name4-(3-pentan-3-ylcyclohexyl)cyclohexene
PubChem CID174503613
Molecular FormulaC17H30
Molecular Weight234.43 g/mol
Exact Mass234.23
IUPAC Name4-(3-pentan-3-ylcyclohexyl)cyclohexene
SMILESCCC(CC)C1CCCC(C2CC=CCC2)C1
InChIInChI=1S/C17H30/c1-3-14(4-2)16-11-8-12-17(13-16)15-9-6-5-7-10-15/h5-6,14-17H,3-4,7-13H2,1-2H3
InChIKeySRVJNKZLXIBWPU-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500234.43
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-pentan-3-ylcyclohexyl)cyclohexene?
The IUPAC name of 4-(3-pentan-3-ylcyclohexyl)cyclohexene (CID 174503613) is 4-(3-pentan-3-ylcyclohexyl)cyclohexene.
What is the SMILES notation for 4-(3-pentan-3-ylcyclohexyl)cyclohexene?
The canonical SMILES for 4-(3-pentan-3-ylcyclohexyl)cyclohexene is CCC(CC)C1CCCC(C2CC=CCC2)C1.
What is the InChIKey of 4-(3-pentan-3-ylcyclohexyl)cyclohexene?
The InChIKey is SRVJNKZLXIBWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30/c1-3-14(4-2)16-11-8-12-17(13-16)15-9-6-5-7-10-15/h5-6,14-17H,3-4,7-13H2,1-2H3.
What are the key properties of 4-(3-pentan-3-ylcyclohexyl)cyclohexene?
4-(3-pentan-3-ylcyclohexyl)cyclohexene has a molecular weight of 234.43 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pentan-3-ylcyclohexyl)cyclohexene is sourced from PubChem (CID 174503613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).