4-methylpent-1-ene;oct-1-ene

C14H28 — CID 18372144

IUPAC4-methylpent-1-ene;oct-1-ene
SMILESC=CCC(C)C.C=CCCCCCC
InChIInChI=1S/C8H16.C6H12/c1-3-5-7-8-6-4-2;1-4-5-6(2)3/h3H,1,4-8H2,2H3;4,6H,1,5H2,2-3H3
InChIKeyJUBZWCKWXZNZFF-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.36
Rot. Bonds7

About 4-methylpent-1-ene;oct-1-ene

4-methylpent-1-ene;oct-1-ene (PubChem CID 18372144) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4-methylpent-1-ene;oct-1-ene.

Molecular Properties

Compound Name4-methylpent-1-ene;oct-1-ene
PubChem CID18372144
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name4-methylpent-1-ene;oct-1-ene
SMILESC=CCC(C)C.C=CCCCCCC
InChIInChI=1S/C8H16.C6H12/c1-3-5-7-8-6-4-2;1-4-5-6(2)3/h3H,1,4-8H2,2H3;4,6H,1,5H2,2-3H3
InChIKeyJUBZWCKWXZNZFF-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylpent-1-ene;oct-1-ene?
The IUPAC name of 4-methylpent-1-ene;oct-1-ene (CID 18372144) is 4-methylpent-1-ene;oct-1-ene.
What is the SMILES notation for 4-methylpent-1-ene;oct-1-ene?
The canonical SMILES for 4-methylpent-1-ene;oct-1-ene is C=CCC(C)C.C=CCCCCCC.
What is the InChIKey of 4-methylpent-1-ene;oct-1-ene?
The InChIKey is JUBZWCKWXZNZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C6H12/c1-3-5-7-8-6-4-2;1-4-5-6(2)3/h3H,1,4-8H2,2H3;4,6H,1,5H2,2-3H3.
What are the key properties of 4-methylpent-1-ene;oct-1-ene?
4-methylpent-1-ene;oct-1-ene has a molecular weight of 196.38 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-1-ene;oct-1-ene is sourced from PubChem (CID 18372144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).