2-chloro-3-prop-2-enoxyprop-1-ene

C6H9ClO — CID 13215592

IUPAC2-chloro-3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC(=C)Cl
InChIInChI=1S/C6H9ClO/c1-3-4-8-5-6(2)7/h3H,1-2,4-5H2
InChIKeyPSSTVFVMRIECEI-UHFFFAOYSA-N
MW132.59 g/mol
LogP1.94
Rot. Bonds4

About 2-chloro-3-prop-2-enoxyprop-1-ene

2-chloro-3-prop-2-enoxyprop-1-ene (PubChem CID 13215592) has the molecular formula C6H9ClO and a molecular weight of 132.59 g/mol. Its IUPAC name is 2-chloro-3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name2-chloro-3-prop-2-enoxyprop-1-ene
PubChem CID13215592
Molecular FormulaC6H9ClO
Molecular Weight132.59 g/mol
Exact Mass132.03
IUPAC Name2-chloro-3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC(=C)Cl
InChIInChI=1S/C6H9ClO/c1-3-4-8-5-6(2)7/h3H,1-2,4-5H2
InChIKeyPSSTVFVMRIECEI-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-prop-2-enoxyprop-1-ene?
The IUPAC name of 2-chloro-3-prop-2-enoxyprop-1-ene (CID 13215592) is 2-chloro-3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 2-chloro-3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 2-chloro-3-prop-2-enoxyprop-1-ene is C=CCOCC(=C)Cl.
What is the InChIKey of 2-chloro-3-prop-2-enoxyprop-1-ene?
The InChIKey is PSSTVFVMRIECEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO/c1-3-4-8-5-6(2)7/h3H,1-2,4-5H2.
What are the key properties of 2-chloro-3-prop-2-enoxyprop-1-ene?
2-chloro-3-prop-2-enoxyprop-1-ene has a molecular weight of 132.59 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 13215592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).