1-chlorohexadecan-1-ol

C16H33ClO — CID 87967130

IUPAC1-chlorohexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)Cl
InChIInChI=1S/C16H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h16,18H,2-15H2,1H3
InChIKeyHTTVRHPLZWSESO-UHFFFAOYSA-N
MW276.89 g/mol
LogP6.02
Rot. Bonds14

About 1-chlorohexadecan-1-ol

1-chlorohexadecan-1-ol (PubChem CID 87967130) has the molecular formula C16H33ClO and a molecular weight of 276.89 g/mol. Its IUPAC name is 1-chlorohexadecan-1-ol.

Molecular Properties

Compound Name1-chlorohexadecan-1-ol
PubChem CID87967130
Molecular FormulaC16H33ClO
Molecular Weight276.89 g/mol
Exact Mass276.22
IUPAC Name1-chlorohexadecan-1-ol
SMILESCCCCCCCCCCCCCCCC(O)Cl
InChIInChI=1S/C16H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h16,18H,2-15H2,1H3
InChIKeyHTTVRHPLZWSESO-UHFFFAOYSA-N
XLogP6.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.89
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

decane;dodecane-1,1-diol
CID 162011285
nonacosane-7,20-diol
CID 174949468
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
heptane-1,1-diol;hexane-1,1-diol
CID 161393558
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
nonacosane-14,15-diol
CID 91509633
nonacosane-1,1-diol
CID 23066924

Frequently Asked Questions

What is the IUPAC name of 1-chlorohexadecan-1-ol?
The IUPAC name of 1-chlorohexadecan-1-ol (CID 87967130) is 1-chlorohexadecan-1-ol.
What is the SMILES notation for 1-chlorohexadecan-1-ol?
The canonical SMILES for 1-chlorohexadecan-1-ol is CCCCCCCCCCCCCCCC(O)Cl.
What is the InChIKey of 1-chlorohexadecan-1-ol?
The InChIKey is HTTVRHPLZWSESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h16,18H,2-15H2,1H3.
What are the key properties of 1-chlorohexadecan-1-ol?
1-chlorohexadecan-1-ol has a molecular weight of 276.89 g/mol, XLogP of 6.02, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorohexadecan-1-ol is sourced from PubChem (CID 87967130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).