1-chloropent-3-en-1-ol

C5H9ClO — CID 154207104

IUPAC1-chloropent-3-en-1-ol
SMILESCC=CCC(O)Cl
InChIInChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-3,5,7H,4H2,1H3
InChIKeyZRCXIRDNWKZGST-UHFFFAOYSA-N
MW120.58 g/mol
LogP1.51
Rot. Bonds2

About 1-chloropent-3-en-1-ol

1-chloropent-3-en-1-ol (PubChem CID 154207104) has the molecular formula C5H9ClO and a molecular weight of 120.58 g/mol. Its IUPAC name is 1-chloropent-3-en-1-ol.

Molecular Properties

Compound Name1-chloropent-3-en-1-ol
PubChem CID154207104
Molecular FormulaC5H9ClO
Molecular Weight120.58 g/mol
Exact Mass120.03
IUPAC Name1-chloropent-3-en-1-ol
SMILESCC=CCC(O)Cl
InChIInChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-3,5,7H,4H2,1H3
InChIKeyZRCXIRDNWKZGST-UHFFFAOYSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-chloropent-3-en-1-ol?
The IUPAC name of 1-chloropent-3-en-1-ol (CID 154207104) is 1-chloropent-3-en-1-ol.
What is the SMILES notation for 1-chloropent-3-en-1-ol?
The canonical SMILES for 1-chloropent-3-en-1-ol is CC=CCC(O)Cl.
What is the InChIKey of 1-chloropent-3-en-1-ol?
The InChIKey is ZRCXIRDNWKZGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO/c1-2-3-4-5(6)7/h2-3,5,7H,4H2,1H3.
What are the key properties of 1-chloropent-3-en-1-ol?
1-chloropent-3-en-1-ol has a molecular weight of 120.58 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropent-3-en-1-ol is sourced from PubChem (CID 154207104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).