6-chlorohexyl N-cyclohexylcarbamate

C13H24ClNO2 — CID 107708010

IUPAC6-chlorohexyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCCCCCCCl
InChIInChI=1S/C13H24ClNO2/c14-10-6-1-2-7-11-17-13(16)15-12-8-4-3-5-9-12/h12H,1-11H2,(H,15,16)
InChIKeyAPEWXGQXHIYPAT-UHFFFAOYSA-N
MW261.79 g/mol
LogP3.84
Rot. Bonds7

About 6-chlorohexyl N-cyclohexylcarbamate

6-chlorohexyl N-cyclohexylcarbamate (PubChem CID 107708010) has the molecular formula C13H24ClNO2 and a molecular weight of 261.79 g/mol. Its IUPAC name is 6-chlorohexyl N-cyclohexylcarbamate.

Molecular Properties

Compound Name6-chlorohexyl N-cyclohexylcarbamate
PubChem CID107708010
Molecular FormulaC13H24ClNO2
Molecular Weight261.79 g/mol
Exact Mass261.15
IUPAC Name6-chlorohexyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCCCCCCCl
InChIInChI=1S/C13H24ClNO2/c14-10-6-1-2-7-11-17-13(16)15-12-8-4-3-5-9-12/h12H,1-11H2,(H,15,16)
InChIKeyAPEWXGQXHIYPAT-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chlorohexyl N-cyclohexylcarbamate?
The IUPAC name of 6-chlorohexyl N-cyclohexylcarbamate (CID 107708010) is 6-chlorohexyl N-cyclohexylcarbamate.
What is the SMILES notation for 6-chlorohexyl N-cyclohexylcarbamate?
The canonical SMILES for 6-chlorohexyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCCCCCCCl.
What is the InChIKey of 6-chlorohexyl N-cyclohexylcarbamate?
The InChIKey is APEWXGQXHIYPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO2/c14-10-6-1-2-7-11-17-13(16)15-12-8-4-3-5-9-12/h12H,1-11H2,(H,15,16).
What are the key properties of 6-chlorohexyl N-cyclohexylcarbamate?
6-chlorohexyl N-cyclohexylcarbamate has a molecular weight of 261.79 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorohexyl N-cyclohexylcarbamate is sourced from PubChem (CID 107708010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).