1-chloropentadecane

C15H31Cl — CID 20996

IUPAC1-chloropentadecane
SMILESCCCCCCCCCCCCCCCCl
InChIInChI=1S/C15H31Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3
InChIKeyWFDSCHJVWDKDFK-UHFFFAOYSA-N
MW246.87 g/mol
LogP6.32
Rot. Bonds13

About 1-chloropentadecane

1-chloropentadecane (PubChem CID 20996) has the molecular formula C15H31Cl and a molecular weight of 246.87 g/mol. Its IUPAC name is 1-chloropentadecane.

Molecular Properties

Compound Name1-chloropentadecane
PubChem CID20996
Molecular FormulaC15H31Cl
Molecular Weight246.87 g/mol
Exact Mass246.21
IUPAC Name1-chloropentadecane
SMILESCCCCCCCCCCCCCCCCl
InChIInChI=1S/C15H31Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3
InChIKeyWFDSCHJVWDKDFK-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.87
LogP ≤ 56.32
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

1-chlorononane
CID 17185
1-chloropentane;tetracosane
CID 174427484
1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582
CID 87162953
CID 87162953
sodium;1-chlorododecane;chloride
CID 175001889
azane;1-chlorohexadecane;hydrate
CID 174801150
1-chloroicosane;phosphane;dihydrochloride
CID 173449794
sodium;carbanide;1-chlorododecane
CID 175514406
1-chloropentane;ethane
CID 175284520
1-chlorohexane;N,N-dimethylmethanamine
CID 174391589
1-chloroicosane;dichlorophosphane
CID 173449796

Frequently Asked Questions

What is the IUPAC name of 1-chloropentadecane?
The IUPAC name of 1-chloropentadecane (CID 20996) is 1-chloropentadecane.
What is the SMILES notation for 1-chloropentadecane?
The canonical SMILES for 1-chloropentadecane is CCCCCCCCCCCCCCCCl.
What is the InChIKey of 1-chloropentadecane?
The InChIKey is WFDSCHJVWDKDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3.
What are the key properties of 1-chloropentadecane?
1-chloropentadecane has a molecular weight of 246.87 g/mol, XLogP of 6.32, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentadecane is sourced from PubChem (CID 20996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).