11-chloro-11-nonylhenicosane

C30H61Cl — CID 154304707

IUPAC11-chloro-11-nonylhenicosane
SMILESCCCCCCCCCCC(Cl)(CCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C30H61Cl/c1-4-7-10-13-16-19-22-25-28-30(31,27-24-21-18-15-12-9-6-3)29-26-23-20-17-14-11-8-5-2/h4-29H2,1-3H3
InChIKeyAAUDHDWUCBQWJH-UHFFFAOYSA-N
MW457.27 g/mol
LogP12.17
Rot. Bonds26

About 11-chloro-11-nonylhenicosane

11-chloro-11-nonylhenicosane (PubChem CID 154304707) has the molecular formula C30H61Cl and a molecular weight of 457.27 g/mol. Its IUPAC name is 11-chloro-11-nonylhenicosane.

Molecular Properties

Compound Name11-chloro-11-nonylhenicosane
PubChem CID154304707
Molecular FormulaC30H61Cl
Molecular Weight457.27 g/mol
Exact Mass456.45
IUPAC Name11-chloro-11-nonylhenicosane
SMILESCCCCCCCCCCC(Cl)(CCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C30H61Cl/c1-4-7-10-13-16-19-22-25-28-30(31,27-24-21-18-15-12-9-6-3)29-26-23-20-17-14-11-8-5-2/h4-29H2,1-3H3
InChIKeyAAUDHDWUCBQWJH-UHFFFAOYSA-N
XLogP12.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.27
LogP ≤ 512.17
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
CID 101326061
azane;3-chloro-3-ethylheptadecane
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1,1,1-trichlorononane
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2-chloro-2-methylheptadecane
CID 19869804
5,5-dichlorododecane
CID 90767172
azane;(4-chloro-4-decyltetradecyl)-trimethoxysilane
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CID 88822813

Frequently Asked Questions

What is the IUPAC name of 11-chloro-11-nonylhenicosane?
The IUPAC name of 11-chloro-11-nonylhenicosane (CID 154304707) is 11-chloro-11-nonylhenicosane.
What is the SMILES notation for 11-chloro-11-nonylhenicosane?
The canonical SMILES for 11-chloro-11-nonylhenicosane is CCCCCCCCCCC(Cl)(CCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 11-chloro-11-nonylhenicosane?
The InChIKey is AAUDHDWUCBQWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61Cl/c1-4-7-10-13-16-19-22-25-28-30(31,27-24-21-18-15-12-9-6-3)29-26-23-20-17-14-11-8-5-2/h4-29H2,1-3H3.
What are the key properties of 11-chloro-11-nonylhenicosane?
11-chloro-11-nonylhenicosane has a molecular weight of 457.27 g/mol, XLogP of 12.17, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-11-nonylhenicosane is sourced from PubChem (CID 154304707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).