chloromethyl N-decylcarbamate

C12H24ClNO2 — CID 177224854

IUPACchloromethyl N-decylcarbamate
SMILESCCCCCCCCCCNC(=O)OCCl
InChIInChI=1S/C12H24ClNO2/c1-2-3-4-5-6-7-8-9-10-14-12(15)16-11-13/h2-11H2,1H3,(H,14,15)
InChIKeyDTVSCJWFLXMZBE-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.05
Rot. Bonds10

About chloromethyl N-decylcarbamate

chloromethyl N-decylcarbamate (PubChem CID 177224854) has the molecular formula C12H24ClNO2 and a molecular weight of 249.78 g/mol. Its IUPAC name is chloromethyl N-decylcarbamate.

Molecular Properties

Compound Namechloromethyl N-decylcarbamate
PubChem CID177224854
Molecular FormulaC12H24ClNO2
Molecular Weight249.78 g/mol
Exact Mass249.15
IUPAC Namechloromethyl N-decylcarbamate
SMILESCCCCCCCCCCNC(=O)OCCl
InChIInChI=1S/C12H24ClNO2/c1-2-3-4-5-6-7-8-9-10-14-12(15)16-11-13/h2-11H2,1H3,(H,14,15)
InChIKeyDTVSCJWFLXMZBE-UHFFFAOYSA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.05
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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Related Compounds

undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
4-chlorobut-2-ynyl N-hexylcarbamate
CID 121221750
methyl N-nonylcarbamate
CID 5102101
2-hydroxyethyl N-heptylcarbamate
CID 124705283
ethyl N-pentylcarbamate;molecular hydrogen
CID 144707545
2-bromoethyl N-octadecylcarbamate
CID 59133738
2-fluoroethyl N-hexylcarbamate
CID 87287131

Frequently Asked Questions

What is the IUPAC name of chloromethyl N-decylcarbamate?
The IUPAC name of chloromethyl N-decylcarbamate (CID 177224854) is chloromethyl N-decylcarbamate.
What is the SMILES notation for chloromethyl N-decylcarbamate?
The canonical SMILES for chloromethyl N-decylcarbamate is CCCCCCCCCCNC(=O)OCCl.
What is the InChIKey of chloromethyl N-decylcarbamate?
The InChIKey is DTVSCJWFLXMZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2/c1-2-3-4-5-6-7-8-9-10-14-12(15)16-11-13/h2-11H2,1H3,(H,14,15).
What are the key properties of chloromethyl N-decylcarbamate?
chloromethyl N-decylcarbamate has a molecular weight of 249.78 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl N-decylcarbamate is sourced from PubChem (CID 177224854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).