4-chlorotridecane

C13H27Cl — CID 63460920

IUPAC4-chlorotridecane
SMILESCCCCCCCCCC(Cl)CCC
InChIInChI=1S/C13H27Cl/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13H,3-12H2,1-2H3
InChIKeyODWVBHLBRDQUOS-UHFFFAOYSA-N
MW218.81 g/mol
LogP5.53
Rot. Bonds10

About 4-chlorotridecane

4-chlorotridecane (PubChem CID 63460920) has the molecular formula C13H27Cl and a molecular weight of 218.81 g/mol. Its IUPAC name is 4-chlorotridecane.

Molecular Properties

Compound Name4-chlorotridecane
PubChem CID63460920
Molecular FormulaC13H27Cl
Molecular Weight218.81 g/mol
Exact Mass218.18
IUPAC Name4-chlorotridecane
SMILESCCCCCCCCCC(Cl)CCC
InChIInChI=1S/C13H27Cl/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13H,3-12H2,1-2H3
InChIKeyODWVBHLBRDQUOS-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.81
LogP ≤ 55.53
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

4-chloropentadecane
CID 63459834
17-chlorotritriacontane
CID 87852962
12-chlorooctacosane;N-methylmethanamine
CID 122611467
9-chlorohexacosane;N-methylmethanamine
CID 122613288
3-chlorohenicosane
CID 87067964
3-chlorohexadecane
CID 63459281
1-bromo-3-chloropentadecane
CID 122583656
azane;1,3-dichloropentadecane
CID 87123860
(2S)-1,2-dichlorododecane
CID 98052710
2-chlorooctadecan-1-ol
CID 14984660
7-chloro-1-iodoundecane
CID 122491544
6-chloro-1-fluorodecane
CID 175363910

Frequently Asked Questions

What is the IUPAC name of 4-chlorotridecane?
The IUPAC name of 4-chlorotridecane (CID 63460920) is 4-chlorotridecane.
What is the SMILES notation for 4-chlorotridecane?
The canonical SMILES for 4-chlorotridecane is CCCCCCCCCC(Cl)CCC.
What is the InChIKey of 4-chlorotridecane?
The InChIKey is ODWVBHLBRDQUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27Cl/c1-3-5-6-7-8-9-10-12-13(14)11-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 4-chlorotridecane?
4-chlorotridecane has a molecular weight of 218.81 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorotridecane is sourced from PubChem (CID 63460920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).