5-chloro-2,3-dimethylpent-2-ene

C7H13Cl — CID 55303342

IUPAC5-chloro-2,3-dimethylpent-2-ene
SMILESCC(C)=C(C)CCCl
InChIInChI=1S/C7H13Cl/c1-6(2)7(3)4-5-8/h4-5H2,1-3H3
InChIKeyXHHAFCGSODPCDJ-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.97
Rot. Bonds2

About 5-chloro-2,3-dimethylpent-2-ene

5-chloro-2,3-dimethylpent-2-ene (PubChem CID 55303342) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 5-chloro-2,3-dimethylpent-2-ene.

Molecular Properties

Compound Name5-chloro-2,3-dimethylpent-2-ene
PubChem CID55303342
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name5-chloro-2,3-dimethylpent-2-ene
SMILESCC(C)=C(C)CCCl
InChIInChI=1S/C7H13Cl/c1-6(2)7(3)4-5-8/h4-5H2,1-3H3
InChIKeyXHHAFCGSODPCDJ-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.63
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,3-dimethylpent-2-ene?
The IUPAC name of 5-chloro-2,3-dimethylpent-2-ene (CID 55303342) is 5-chloro-2,3-dimethylpent-2-ene.
What is the SMILES notation for 5-chloro-2,3-dimethylpent-2-ene?
The canonical SMILES for 5-chloro-2,3-dimethylpent-2-ene is CC(C)=C(C)CCCl.
What is the InChIKey of 5-chloro-2,3-dimethylpent-2-ene?
The InChIKey is XHHAFCGSODPCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-6(2)7(3)4-5-8/h4-5H2,1-3H3.
What are the key properties of 5-chloro-2,3-dimethylpent-2-ene?
5-chloro-2,3-dimethylpent-2-ene has a molecular weight of 132.63 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dimethylpent-2-ene is sourced from PubChem (CID 55303342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).