1-chloropentan-1-ol

C5H11ClO — CID 18614894

IUPAC1-chloropentan-1-ol
SMILESCCCCC(O)Cl
InChIInChI=1S/C5H11ClO/c1-2-3-4-5(6)7/h5,7H,2-4H2,1H3
InChIKeyZZZXZQQRTBBNHT-UHFFFAOYSA-N
MW122.59 g/mol
LogP1.73
Rot. Bonds3

About 1-chloropentan-1-ol

1-chloropentan-1-ol (PubChem CID 18614894) has the molecular formula C5H11ClO and a molecular weight of 122.59 g/mol. Its IUPAC name is 1-chloropentan-1-ol.

Molecular Properties

Compound Name1-chloropentan-1-ol
PubChem CID18614894
Molecular FormulaC5H11ClO
Molecular Weight122.59 g/mol
Exact Mass122.05
IUPAC Name1-chloropentan-1-ol
SMILESCCCCC(O)Cl
InChIInChI=1S/C5H11ClO/c1-2-3-4-5(6)7/h5,7H,2-4H2,1H3
InChIKeyZZZXZQQRTBBNHT-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.59
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloropentan-1-ol?
The IUPAC name of 1-chloropentan-1-ol (CID 18614894) is 1-chloropentan-1-ol.
What is the SMILES notation for 1-chloropentan-1-ol?
The canonical SMILES for 1-chloropentan-1-ol is CCCCC(O)Cl.
What is the InChIKey of 1-chloropentan-1-ol?
The InChIKey is ZZZXZQQRTBBNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO/c1-2-3-4-5(6)7/h5,7H,2-4H2,1H3.
What are the key properties of 1-chloropentan-1-ol?
1-chloropentan-1-ol has a molecular weight of 122.59 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentan-1-ol is sourced from PubChem (CID 18614894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).