1-chloro-3-ethylpent-2-ene

C7H13Cl — CID 15197587

IUPAC1-chloro-3-ethylpent-2-ene
SMILESCCC(=CCCl)CC
InChIInChI=1S/C7H13Cl/c1-3-7(4-2)5-6-8/h5H,3-4,6H2,1-2H3
InChIKeyKGGJNDUVNDRZTM-UHFFFAOYSA-N
MW132.63 g/mol
LogP2.97
Rot. Bonds3

About 1-chloro-3-ethylpent-2-ene

1-chloro-3-ethylpent-2-ene (PubChem CID 15197587) has the molecular formula C7H13Cl and a molecular weight of 132.63 g/mol. Its IUPAC name is 1-chloro-3-ethylpent-2-ene.

Molecular Properties

Compound Name1-chloro-3-ethylpent-2-ene
PubChem CID15197587
Molecular FormulaC7H13Cl
Molecular Weight132.63 g/mol
Exact Mass132.07
IUPAC Name1-chloro-3-ethylpent-2-ene
SMILESCCC(=CCCl)CC
InChIInChI=1S/C7H13Cl/c1-3-7(4-2)5-6-8/h5H,3-4,6H2,1-2H3
InChIKeyKGGJNDUVNDRZTM-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
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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Related Compounds

3-ethylpent-2-en-1-amine
CID 63969670
3-(chloromethyl)pent-2-ene
CID 123349143
3-(chloromethylidene)pentane;silane
CID 175302287
3-(2-ethylbut-1-enoxymethylidene)pentane
CID 69017814
3-ethylpent-2-enyl(dimethyl)azanium chloride
CID 87098668
2-ethylpent-2-enylphosphane
CID 91471164
4-chloro-2-methylbut-2-en-1-ol
CID 71386874
(E)-3-ethylhex-3-enenitrile
CID 59873720
2-ethylbut-2-ene-1,4-diamine
CID 175910887
(E)-1-chloro-3,4-dimethylpent-2-ene
CID 14510616
4-chlorobut-2-en-2-yl(trimethyl)silane
CID 71434756
15-ethylheptadec-14-en-1-amine
CID 171060797

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-ethylpent-2-ene?
The IUPAC name of 1-chloro-3-ethylpent-2-ene (CID 15197587) is 1-chloro-3-ethylpent-2-ene.
What is the SMILES notation for 1-chloro-3-ethylpent-2-ene?
The canonical SMILES for 1-chloro-3-ethylpent-2-ene is CCC(=CCCl)CC.
What is the InChIKey of 1-chloro-3-ethylpent-2-ene?
The InChIKey is KGGJNDUVNDRZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl/c1-3-7(4-2)5-6-8/h5H,3-4,6H2,1-2H3.
What are the key properties of 1-chloro-3-ethylpent-2-ene?
1-chloro-3-ethylpent-2-ene has a molecular weight of 132.63 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-ethylpent-2-ene is sourced from PubChem (CID 15197587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).