4-propylcyclohexene

C9H16 — CID 518777

IUPAC4-propylcyclohexene
SMILESCCCC1CC=CCC1
InChIInChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h3-4,9H,2,5-8H2,1H3
InChIKeyKNEBOBXOCJOCIP-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds2

About 4-propylcyclohexene

4-propylcyclohexene (PubChem CID 518777) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 4-propylcyclohexene.

Molecular Properties

Compound Name4-propylcyclohexene
PubChem CID518777
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name4-propylcyclohexene
SMILESCCCC1CC=CCC1
InChIInChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h3-4,9H,2,5-8H2,1H3
InChIKeyKNEBOBXOCJOCIP-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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

4-tetradecylcyclohexene
CID 54499913
(5Z)-8-propylcyclododec-5-en-1-amine
CID 139514342
4-(4-propylcyclohexyl)cyclohexene
CID 18964431
4-(2-dodecylsulfanylethyl)cyclohexene
CID 132546559
3-cyclohex-3-en-1-ylpropane-1,1-diol
CID 89285958
methyl 3-cyclohex-3-en-1-ylpropanoate
CID 12772855
(4R)-4-(iodomethyl)cyclohexene
CID 11770032
4-[(E)-pent-2-enyl]cyclohexene
CID 91748880
(4R)-4-(methoxymethyl)cyclohexene
CID 124567710
3-cyclohex-3-en-1-ylpropyl(dimethoxy)silane
CID 123278709
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709
1-[2-cyclohex-3-en-1-yl-1-(4-propylcyclohexyl)ethyl]-4-ethylbenzene
CID 56997239

Frequently Asked Questions

What is the IUPAC name of 4-propylcyclohexene?
The IUPAC name of 4-propylcyclohexene (CID 518777) is 4-propylcyclohexene.
What is the SMILES notation for 4-propylcyclohexene?
The canonical SMILES for 4-propylcyclohexene is CCCC1CC=CCC1.
What is the InChIKey of 4-propylcyclohexene?
The InChIKey is KNEBOBXOCJOCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 4-propylcyclohexene?
4-propylcyclohexene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylcyclohexene is sourced from PubChem (CID 518777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).