4-chloropentadecane

C15H31Cl — CID 63459834

IUPAC4-chloropentadecane
SMILESCCCCCCCCCCCC(Cl)CCC
InChIInChI=1S/C15H31Cl/c1-3-5-6-7-8-9-10-11-12-14-15(16)13-4-2/h15H,3-14H2,1-2H3
InChIKeyVGXMBWXESODFAP-UHFFFAOYSA-N
MW246.87 g/mol
LogP6.31
Rot. Bonds12

About 4-chloropentadecane

4-chloropentadecane (PubChem CID 63459834) has the molecular formula C15H31Cl and a molecular weight of 246.87 g/mol. Its IUPAC name is 4-chloropentadecane.

Molecular Properties

Compound Name4-chloropentadecane
PubChem CID63459834
Molecular FormulaC15H31Cl
Molecular Weight246.87 g/mol
Exact Mass246.21
IUPAC Name4-chloropentadecane
SMILESCCCCCCCCCCCC(Cl)CCC
InChIInChI=1S/C15H31Cl/c1-3-5-6-7-8-9-10-11-12-14-15(16)13-4-2/h15H,3-14H2,1-2H3
InChIKeyVGXMBWXESODFAP-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.87
LogP ≤ 56.31
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'}

Analyze 4-chloropentadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chlorotridecane
CID 63460920
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-chloropentadecane?
The IUPAC name of 4-chloropentadecane (CID 63459834) is 4-chloropentadecane.
What is the SMILES notation for 4-chloropentadecane?
The canonical SMILES for 4-chloropentadecane is CCCCCCCCCCCC(Cl)CCC.
What is the InChIKey of 4-chloropentadecane?
The InChIKey is VGXMBWXESODFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31Cl/c1-3-5-6-7-8-9-10-11-12-14-15(16)13-4-2/h15H,3-14H2,1-2H3.
What are the key properties of 4-chloropentadecane?
4-chloropentadecane has a molecular weight of 246.87 g/mol, XLogP of 6.31, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloropentadecane is sourced from PubChem (CID 63459834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).