2,3-dimethylpent-1-ene

C7H14 — CID 18851

IUPAC2,3-dimethylpent-1-ene
SMILESC=C(C)C(C)CC
InChIInChI=1S/C7H14/c1-5-7(4)6(2)3/h7H,2,5H2,1,3-4H3
InChIKeyLIMAEKMEXJTSNI-UHFFFAOYSA-N
MW98.19 g/mol
LogP2.61
Rot. Bonds2

About 2,3-dimethylpent-1-ene

2,3-dimethylpent-1-ene (PubChem CID 18851) has the molecular formula C7H14 and a molecular weight of 98.19 g/mol. Its IUPAC name is 2,3-dimethylpent-1-ene.

Molecular Properties

Compound Name2,3-dimethylpent-1-ene
PubChem CID18851
Molecular FormulaC7H14
Molecular Weight98.19 g/mol
Exact Mass98.11
IUPAC Name2,3-dimethylpent-1-ene
SMILESC=C(C)C(C)CC
InChIInChI=1S/C7H14/c1-5-7(4)6(2)3/h7H,2,5H2,1,3-4H3
InChIKeyLIMAEKMEXJTSNI-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.19
LogP ≤ 52.61
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

2-Methyl-1-pentene
CID 12986
2,3-Dimethyl-1-butene
CID 11249
4-Methyl-1-hexene
CID 19589
2,4-Dimethylpent-1-ene
CID 16657
3-Ethyl-1-pentene
CID 19951
Isopropenylcyclopropane
CID 78394
2-Methyl-3-methylenepentane
CID 81818
2,4-Dimethyl-1,4-pentadiene
CID 138137
1-Pentene, 3-ethyl-2-methyl-
CID 140591
1-Ethyl-3-methylidenecyclobutane
CID 549131
4-Methyl-1-hexene, (4S)-
CID 22810192
1-Methyl-3-methylidenecyclobutane
CID 13813829

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylpent-1-ene?
The IUPAC name of 2,3-dimethylpent-1-ene (CID 18851) is 2,3-dimethylpent-1-ene.
What is the SMILES notation for 2,3-dimethylpent-1-ene?
The canonical SMILES for 2,3-dimethylpent-1-ene is C=C(C)C(C)CC.
What is the InChIKey of 2,3-dimethylpent-1-ene?
The InChIKey is LIMAEKMEXJTSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14/c1-5-7(4)6(2)3/h7H,2,5H2,1,3-4H3.
What are the key properties of 2,3-dimethylpent-1-ene?
2,3-dimethylpent-1-ene has a molecular weight of 98.19 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylpent-1-ene is sourced from PubChem (CID 18851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).