4,13-dichloro-4,13-dipropylhexadecane

C22H44Cl2 — CID 101326061

IUPAC4,13-dichloro-4,13-dipropylhexadecane
SMILESCCCC(Cl)(CCC)CCCCCCCCC(Cl)(CCC)CCC
InChIInChI=1S/C22H44Cl2/c1-5-15-21(23,16-6-2)19-13-11-9-10-12-14-20-22(24,17-7-3)18-8-4/h5-20H2,1-4H3
InChIKeyMOQRKLGMLDDKDA-UHFFFAOYSA-N
MW379.50 g/mol
LogP9.26
Rot. Bonds17

About 4,13-dichloro-4,13-dipropylhexadecane

4,13-dichloro-4,13-dipropylhexadecane (PubChem CID 101326061) has the molecular formula C22H44Cl2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4,13-dichloro-4,13-dipropylhexadecane.

Molecular Properties

Compound Name4,13-dichloro-4,13-dipropylhexadecane
PubChem CID101326061
Molecular FormulaC22H44Cl2
Molecular Weight379.50 g/mol
Exact Mass378.28
IUPAC Name4,13-dichloro-4,13-dipropylhexadecane
SMILESCCCC(Cl)(CCC)CCCCCCCCC(Cl)(CCC)CCC
InChIInChI=1S/C22H44Cl2/c1-5-15-21(23,16-6-2)19-13-11-9-10-12-14-20-22(24,17-7-3)18-8-4/h5-20H2,1-4H3
InChIKeyMOQRKLGMLDDKDA-UHFFFAOYSA-N
XLogP9.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.50
LogP ≤ 59.26
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 4,13-dichloro-4,13-dipropylhexadecane 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

11-chloro-11-decylpentacosane
CID 19690403
7-chloro-7-hexylheptadecane
CID 141000501
11-chloro-11-nonylhenicosane
CID 154304707
azane;12-chloro-12-undecyltetracosane
CID 88840214
azane;9-chloro-9-octyloctadecane;hydron
CID 22328165
azane;5-butyl-5-chlorodecane
CID 88839636
azane;3-chloro-3-ethylheptadecane
CID 87792751
1,1,1-trichlorononane
CID 6420387
azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane
CID 87152956
4-chloro-4-prop-2-enylhexadec-1-ene
CID 88822813
2-chloro-2-methylheptadecane
CID 19869804
5,5-dichlorododecane
CID 90767172

Frequently Asked Questions

What is the IUPAC name of 4,13-dichloro-4,13-dipropylhexadecane?
The IUPAC name of 4,13-dichloro-4,13-dipropylhexadecane (CID 101326061) is 4,13-dichloro-4,13-dipropylhexadecane.
What is the SMILES notation for 4,13-dichloro-4,13-dipropylhexadecane?
The canonical SMILES for 4,13-dichloro-4,13-dipropylhexadecane is CCCC(Cl)(CCC)CCCCCCCCC(Cl)(CCC)CCC.
What is the InChIKey of 4,13-dichloro-4,13-dipropylhexadecane?
The InChIKey is MOQRKLGMLDDKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44Cl2/c1-5-15-21(23,16-6-2)19-13-11-9-10-12-14-20-22(24,17-7-3)18-8-4/h5-20H2,1-4H3.
What are the key properties of 4,13-dichloro-4,13-dipropylhexadecane?
4,13-dichloro-4,13-dipropylhexadecane has a molecular weight of 379.50 g/mol, XLogP of 9.26, 17 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,13-dichloro-4,13-dipropylhexadecane is sourced from PubChem (CID 101326061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).