2,3-dimethylhept-1-ene

C9H18 — CID 528284

IUPAC2,3-dimethylhept-1-ene
SMILESC=C(C)C(C)CCCC
InChIInChI=1S/C9H18/c1-5-6-7-9(4)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeySLLOKCQHVCZGEA-UHFFFAOYSA-N
MW126.24 g/mol
LogP3.39
Rot. Bonds4

About 2,3-dimethylhept-1-ene

2,3-dimethylhept-1-ene (PubChem CID 528284) has the molecular formula C9H18 and a molecular weight of 126.24 g/mol. Its IUPAC name is 2,3-dimethylhept-1-ene.

Molecular Properties

Compound Name2,3-dimethylhept-1-ene
PubChem CID528284
Molecular FormulaC9H18
Molecular Weight126.24 g/mol
Exact Mass126.14
IUPAC Name2,3-dimethylhept-1-ene
SMILESC=C(C)C(C)CCCC
InChIInChI=1S/C9H18/c1-5-6-7-9(4)8(2)3/h9H,2,5-7H2,1,3-4H3
InChIKeySLLOKCQHVCZGEA-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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

3-Methyleneheptane
CID 15404
1-Heptene, 5-methyl-
CID 99888
2,4-Dimethyl-1-heptene
CID 123385
Cyclohexane, 1-methylene-4-(1-methylethenyl)-
CID 68140
2-Methyl-1-heptene
CID 27519
2,5-Dimethyl-1-hexene
CID 33451
1-Heptene, 2,6-dimethyl-
CID 76492
2,4-Dimethyl-1-hexene
CID 519301
1-Methyl-4-methylidenecyclohexane
CID 520363
2,6-Dimethyl 1,7-octadiene
CID 522313
2-Methyl-3-methylenehexane
CID 528377
(+-)-N,N-Dimethyl menthyl succinamide
CID 544714

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylhept-1-ene?
The IUPAC name of 2,3-dimethylhept-1-ene (CID 528284) is 2,3-dimethylhept-1-ene.
What is the SMILES notation for 2,3-dimethylhept-1-ene?
The canonical SMILES for 2,3-dimethylhept-1-ene is C=C(C)C(C)CCCC.
What is the InChIKey of 2,3-dimethylhept-1-ene?
The InChIKey is SLLOKCQHVCZGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18/c1-5-6-7-9(4)8(2)3/h9H,2,5-7H2,1,3-4H3.
What are the key properties of 2,3-dimethylhept-1-ene?
2,3-dimethylhept-1-ene has a molecular weight of 126.24 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylhept-1-ene is sourced from PubChem (CID 528284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).