3-chloro-4-ethoxypent-2-ene

C7H13ClO — CID 90909523

IUPAC3-chloro-4-ethoxypent-2-ene
SMILESCC=C(Cl)C(C)OCC
InChIInChI=1S/C7H13ClO/c1-4-7(8)6(3)9-5-2/h4,6H,5H2,1-3H3
InChIKeyLHHQCTGQGYSCCA-UHFFFAOYSA-N
MW148.63 g/mol
LogP2.55
Rot. Bonds3

About 3-chloro-4-ethoxypent-2-ene

3-chloro-4-ethoxypent-2-ene (PubChem CID 90909523) has the molecular formula C7H13ClO and a molecular weight of 148.63 g/mol. Its IUPAC name is 3-chloro-4-ethoxypent-2-ene.

Molecular Properties

Compound Name3-chloro-4-ethoxypent-2-ene
PubChem CID90909523
Molecular FormulaC7H13ClO
Molecular Weight148.63 g/mol
Exact Mass148.07
IUPAC Name3-chloro-4-ethoxypent-2-ene
SMILESCC=C(Cl)C(C)OCC
InChIInChI=1S/C7H13ClO/c1-4-7(8)6(3)9-5-2/h4,6H,5H2,1-3H3
InChIKeyLHHQCTGQGYSCCA-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.63
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxypent-2-ene?
The IUPAC name of 3-chloro-4-ethoxypent-2-ene (CID 90909523) is 3-chloro-4-ethoxypent-2-ene.
What is the SMILES notation for 3-chloro-4-ethoxypent-2-ene?
The canonical SMILES for 3-chloro-4-ethoxypent-2-ene is CC=C(Cl)C(C)OCC.
What is the InChIKey of 3-chloro-4-ethoxypent-2-ene?
The InChIKey is LHHQCTGQGYSCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClO/c1-4-7(8)6(3)9-5-2/h4,6H,5H2,1-3H3.
What are the key properties of 3-chloro-4-ethoxypent-2-ene?
3-chloro-4-ethoxypent-2-ene has a molecular weight of 148.63 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxypent-2-ene is sourced from PubChem (CID 90909523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).