4-methyloct-3-ene

C9H18 — CID 85445337

IUPAC4-methyloct-3-ene
SMILESCCC=C(C)CCCC
InChIInChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h7H,4-6,8H2,1-3H3
InChIKeyMRVHCIQKWVEYFC-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.53
Rot. Bonds4

About 4-methyloct-3-ene

4-methyloct-3-ene (PubChem CID 85445337) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 4-methyloct-3-ene.

Molecular Properties

Compound Name4-methyloct-3-ene
PubChem CID85445337
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name4-methyloct-3-ene
SMILESCCC=C(C)CCCC
InChIInChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h7H,4-6,8H2,1-3H3
InChIKeyMRVHCIQKWVEYFC-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.24
LogP ≤ 53.53
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-methylheptadec-3-ene
CID 59169426
3,7-dimethyldeca-2,7-diene
CID 173346067
(E)-4,8-dimethylnon-3-ene
CID 22743489
4,7,7-trimethyldodec-3-ene
CID 123515373
(E)-5-methylnon-4-enal
CID 101111838
4,9-dimethyldec-3-ene
CID 91170380
7-methyldodeca-3,6-diene
CID 140972090
(E)-9-methylnonadec-9-ene
CID 14783585
6-methyldocos-6-ene
CID 629460
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460

Frequently Asked Questions

What is the IUPAC name of 4-methyloct-3-ene?
The IUPAC name of 4-methyloct-3-ene (CID 85445337) is 4-methyloct-3-ene.
What is the SMILES notation for 4-methyloct-3-ene?
The canonical SMILES for 4-methyloct-3-ene is CCC=C(C)CCCC.
What is the InChIKey of 4-methyloct-3-ene?
The InChIKey is MRVHCIQKWVEYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-4-6-8-9(3)7-5-2/h7H,4-6,8H2,1-3H3.
What are the key properties of 4-methyloct-3-ene?
4-methyloct-3-ene has a molecular weight of 126.24 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloct-3-ene is sourced from PubChem (CID 85445337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).