decyl N-methylcarbamate

C12H25NO2 — CID 14435660

IUPACdecyl N-methylcarbamate
SMILESCCCCCCCCCCOC(=O)NC
InChIInChI=1S/C12H25NO2/c1-3-4-5-6-7-8-9-10-11-15-12(14)13-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyBGILCZPKYGSHNZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.48
Rot. Bonds9

About decyl N-methylcarbamate

decyl N-methylcarbamate (PubChem CID 14435660) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is decyl N-methylcarbamate.

Molecular Properties

Compound Namedecyl N-methylcarbamate
PubChem CID14435660
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Namedecyl N-methylcarbamate
SMILESCCCCCCCCCCOC(=O)NC
InChIInChI=1S/C12H25NO2/c1-3-4-5-6-7-8-9-10-11-15-12(14)13-2/h3-11H2,1-2H3,(H,13,14)
InChIKeyBGILCZPKYGSHNZ-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decyl N-methylcarbamate?
The IUPAC name of decyl N-methylcarbamate (CID 14435660) is decyl N-methylcarbamate.
What is the SMILES notation for decyl N-methylcarbamate?
The canonical SMILES for decyl N-methylcarbamate is CCCCCCCCCCOC(=O)NC.
What is the InChIKey of decyl N-methylcarbamate?
The InChIKey is BGILCZPKYGSHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-4-5-6-7-8-9-10-11-15-12(14)13-2/h3-11H2,1-2H3,(H,13,14).
What are the key properties of decyl N-methylcarbamate?
decyl N-methylcarbamate has a molecular weight of 215.34 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl N-methylcarbamate is sourced from PubChem (CID 14435660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).