11-chloro-11-decylpentacosane

C35H71Cl — CID 19690403

IUPAC11-chloro-11-decylpentacosane
SMILESCCCCCCCCCCCCCCC(Cl)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C35H71Cl/c1-4-7-10-13-16-19-20-21-22-25-28-31-34-35(36,32-29-26-23-17-14-11-8-5-2)33-30-27-24-18-15-12-9-6-3/h4-34H2,1-3H3
InChIKeyCJLKTEZSSGXXFI-UHFFFAOYSA-N
MW527.41 g/mol
LogP14.12
Rot. Bonds31

About 11-chloro-11-decylpentacosane

11-chloro-11-decylpentacosane (PubChem CID 19690403) has the molecular formula C35H71Cl and a molecular weight of 527.41 g/mol. Its IUPAC name is 11-chloro-11-decylpentacosane.

Molecular Properties

Compound Name11-chloro-11-decylpentacosane
PubChem CID19690403
Molecular FormulaC35H71Cl
Molecular Weight527.41 g/mol
Exact Mass526.52
IUPAC Name11-chloro-11-decylpentacosane
SMILESCCCCCCCCCCCCCCC(Cl)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C35H71Cl/c1-4-7-10-13-16-19-20-21-22-25-28-31-34-35(36,32-29-26-23-17-14-11-8-5-2)33-30-27-24-18-15-12-9-6-3/h4-34H2,1-3H3
InChIKeyCJLKTEZSSGXXFI-UHFFFAOYSA-N
XLogP14.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.41
LogP ≤ 514.12
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

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azane;5-butyl-5-chlorodecane
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4,13-dichloro-4,13-dipropylhexadecane
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1,1,1-trichlorononane
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2-chloro-2-methylheptadecane
CID 19869804
5,5-dichlorododecane
CID 90767172
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Frequently Asked Questions

What is the IUPAC name of 11-chloro-11-decylpentacosane?
The IUPAC name of 11-chloro-11-decylpentacosane (CID 19690403) is 11-chloro-11-decylpentacosane.
What is the SMILES notation for 11-chloro-11-decylpentacosane?
The canonical SMILES for 11-chloro-11-decylpentacosane is CCCCCCCCCCCCCCC(Cl)(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 11-chloro-11-decylpentacosane?
The InChIKey is CJLKTEZSSGXXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71Cl/c1-4-7-10-13-16-19-20-21-22-25-28-31-34-35(36,32-29-26-23-17-14-11-8-5-2)33-30-27-24-18-15-12-9-6-3/h4-34H2,1-3H3.
What are the key properties of 11-chloro-11-decylpentacosane?
11-chloro-11-decylpentacosane has a molecular weight of 527.41 g/mol, XLogP of 14.12, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-11-decylpentacosane is sourced from PubChem (CID 19690403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).