1-chlorohexadecane

C16H33Cl — CID 20993

IUPAC1-chlorohexadecane
SMILESCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKeyCLWAXFZCVYJLLM-UHFFFAOYSA-N
MW260.89 g/mol
LogP6.71
Rot. Bonds14

About 1-chlorohexadecane

1-chlorohexadecane (PubChem CID 20993) has the molecular formula C16H33Cl and a molecular weight of 260.89 g/mol. Its IUPAC name is 1-chlorohexadecane.

Molecular Properties

Compound Name1-chlorohexadecane
PubChem CID20993
Molecular FormulaC16H33Cl
Molecular Weight260.89 g/mol
Exact Mass260.23
IUPAC Name1-chlorohexadecane
SMILESCCCCCCCCCCCCCCCCCl
InChIInChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3
InChIKeyCLWAXFZCVYJLLM-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.89
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

Chlorinated paraffins
CID 6537497
1-Chlorooctane
CID 8142
1-Chlorooctadecane
CID 18815
1-Chlorododecane
CID 8192
2-Chlorooctane
CID 12347
1-Chlorodecane
CID 13848
Myristyl chloride
CID 17043
1-Chlorononane
CID 17185
3-Chlorooctane
CID 33575
1-Chloroundecane
CID 17186
2-Chlorododecane
CID 16875
Paraffin waxes and hydrocarbon waxes, chlorinated (C23, 43% chlorine)
CID 22833490

Frequently Asked Questions

What is the IUPAC name of 1-chlorohexadecane?
The IUPAC name of 1-chlorohexadecane (CID 20993) is 1-chlorohexadecane.
What is the SMILES notation for 1-chlorohexadecane?
The canonical SMILES for 1-chlorohexadecane is CCCCCCCCCCCCCCCCCl.
What is the InChIKey of 1-chlorohexadecane?
The InChIKey is CLWAXFZCVYJLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3.
What are the key properties of 1-chlorohexadecane?
1-chlorohexadecane has a molecular weight of 260.89 g/mol, XLogP of 6.71, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorohexadecane is sourced from PubChem (CID 20993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).