decyl N-ethylcarbamate

C13H27NO2 — CID 86121097

IUPACdecyl N-ethylcarbamate
SMILESCCCCCCCCCCOC(=O)NCC
InChIInChI=1S/C13H27NO2/c1-3-5-6-7-8-9-10-11-12-16-13(15)14-4-2/h3-12H2,1-2H3,(H,14,15)
InChIKeyRSBLXFCWHMYOIN-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.87
Rot. Bonds10

About decyl N-ethylcarbamate

decyl N-ethylcarbamate (PubChem CID 86121097) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is decyl N-ethylcarbamate.

Molecular Properties

Compound Namedecyl N-ethylcarbamate
PubChem CID86121097
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Namedecyl N-ethylcarbamate
SMILESCCCCCCCCCCOC(=O)NCC
InChIInChI=1S/C13H27NO2/c1-3-5-6-7-8-9-10-11-12-16-13(15)14-4-2/h3-12H2,1-2H3,(H,14,15)
InChIKeyRSBLXFCWHMYOIN-UHFFFAOYSA-N
XLogP3.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.87
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-ethylcarbamate?
The IUPAC name of decyl N-ethylcarbamate (CID 86121097) is decyl N-ethylcarbamate.
What is the SMILES notation for decyl N-ethylcarbamate?
The canonical SMILES for decyl N-ethylcarbamate is CCCCCCCCCCOC(=O)NCC.
What is the InChIKey of decyl N-ethylcarbamate?
The InChIKey is RSBLXFCWHMYOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-5-6-7-8-9-10-11-12-16-13(15)14-4-2/h3-12H2,1-2H3,(H,14,15).
What are the key properties of decyl N-ethylcarbamate?
decyl N-ethylcarbamate has a molecular weight of 229.36 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl N-ethylcarbamate is sourced from PubChem (CID 86121097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).