3,4,5-tripropylcyclohexene

C15H28 — CID 21482570

IUPAC3,4,5-tripropylcyclohexene
SMILESCCCC1C=CCC(CCC)C1CCC
InChIInChI=1S/C15H28/c1-4-8-13-11-7-12-14(9-5-2)15(13)10-6-3/h7,11,13-15H,4-6,8-10,12H2,1-3H3
InChIKeyRBADGQYEDRUEPL-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.20
Rot. Bonds6

About 3,4,5-tripropylcyclohexene

3,4,5-tripropylcyclohexene (PubChem CID 21482570) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 3,4,5-tripropylcyclohexene.

Molecular Properties

Compound Name3,4,5-tripropylcyclohexene
PubChem CID21482570
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name3,4,5-tripropylcyclohexene
SMILESCCCC1C=CCC(CCC)C1CCC
InChIInChI=1S/C15H28/c1-4-8-13-11-7-12-14(9-5-2)15(13)10-6-3/h7,11,13-15H,4-6,8-10,12H2,1-3H3
InChIKeyRBADGQYEDRUEPL-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.20
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 3,4,5-tripropylcyclohexene?
The IUPAC name of 3,4,5-tripropylcyclohexene (CID 21482570) is 3,4,5-tripropylcyclohexene.
What is the SMILES notation for 3,4,5-tripropylcyclohexene?
The canonical SMILES for 3,4,5-tripropylcyclohexene is CCCC1C=CCC(CCC)C1CCC.
What is the InChIKey of 3,4,5-tripropylcyclohexene?
The InChIKey is RBADGQYEDRUEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-4-8-13-11-7-12-14(9-5-2)15(13)10-6-3/h7,11,13-15H,4-6,8-10,12H2,1-3H3.
What are the key properties of 3,4,5-tripropylcyclohexene?
3,4,5-tripropylcyclohexene has a molecular weight of 208.39 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tripropylcyclohexene is sourced from PubChem (CID 21482570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).