4,5-Dipropyl-4-octene

C14H28 — CID 143530

IUPAC4,5-dipropyloct-4-ene
SMILESCCCC(=C(CCC)CCC)CCC
InChIInChI=1S/C14H28/c1-5-9-13(10-6-2)14(11-7-3)12-8-4/h5-12H2,1-4H3
InChIKeyJPEJJWOTBXVQJJ-UHFFFAOYSA-N
MW196.37 g/mol
LogP6.80
Rot. Bonds8

About 4,5-Dipropyl-4-octene

4,5-Dipropyl-4-octene (PubChem CID 143530) has the molecular formula C14H28 and a molecular weight of 196.37 g/mol. Its IUPAC name is 4,5-dipropyloct-4-ene.

Molecular Properties

Compound Name4,5-Dipropyl-4-octene
PubChem CID143530
Molecular FormulaC14H28
Molecular Weight196.37 g/mol
Exact Mass196.22
IUPAC Name4,5-dipropyloct-4-ene
SMILESCCCC(=C(CCC)CCC)CCC
InChIInChI=1S/C14H28/c1-5-9-13(10-6-2)14(11-7-3)12-8-4/h5-12H2,1-4H3
InChIKeyJPEJJWOTBXVQJJ-UHFFFAOYSA-N
XLogP6.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity119

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.37
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4,5-Dipropyl-4-octene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Terpinolene
CID 11463
Germacrene B
CID 5281519
gamma-Bisabolene
CID 62346
gamma-BISABOLENE, (E)-
CID 5352437
4-Propyl-3-heptene
CID 138270
gamma-Bisabolene, (Z)-
CID 3033866
(1Z,4Z)-germacrene B
CID 6370843
Cyclopentene, 1-ethyl-2-methyl-
CID 88243
2-Methyl-2-undecene
CID 549973
1,2-Dimethylcyclohexene
CID 15480
2,3-Dimethyl-2-hexene
CID 23528
1,2-Dimethylcyclopentene
CID 69829

Frequently Asked Questions

What is the IUPAC name of 4,5-Dipropyl-4-octene?
The IUPAC name of 4,5-Dipropyl-4-octene (CID 143530) is 4,5-dipropyloct-4-ene.
What is the SMILES notation for 4,5-Dipropyl-4-octene?
The canonical SMILES for 4,5-Dipropyl-4-octene is CCCC(=C(CCC)CCC)CCC.
What is the InChIKey of 4,5-Dipropyl-4-octene?
The InChIKey is JPEJJWOTBXVQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-9-13(10-6-2)14(11-7-3)12-8-4/h5-12H2,1-4H3.
What are the key properties of 4,5-Dipropyl-4-octene?
4,5-Dipropyl-4-octene has a molecular weight of 196.37 g/mol, XLogP of 6.80, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-Dipropyl-4-octene is sourced from PubChem (CID 143530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).