decyl N-hexylcarbamate

C17H35NO2 — CID 11087369

IUPACdecyl N-hexylcarbamate
SMILESCCCCCCCCCCOC(=O)NCCCCCC
InChIInChI=1S/C17H35NO2/c1-3-5-7-9-10-11-12-14-16-20-17(19)18-15-13-8-6-4-2/h3-16H2,1-2H3,(H,18,19)
InChIKeyLWLAVIKVIPMFIL-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.43
Rot. Bonds14

About decyl N-hexylcarbamate

decyl N-hexylcarbamate (PubChem CID 11087369) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is decyl N-hexylcarbamate.

Molecular Properties

Compound Namedecyl N-hexylcarbamate
PubChem CID11087369
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Namedecyl N-hexylcarbamate
SMILESCCCCCCCCCCOC(=O)NCCCCCC
InChIInChI=1S/C17H35NO2/c1-3-5-7-9-10-11-12-14-16-20-17(19)18-15-13-8-6-4-2/h3-16H2,1-2H3,(H,18,19)
InChIKeyLWLAVIKVIPMFIL-UHFFFAOYSA-N
XLogP5.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.43
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-hexylcarbamate?
The IUPAC name of decyl N-hexylcarbamate (CID 11087369) is decyl N-hexylcarbamate.
What is the SMILES notation for decyl N-hexylcarbamate?
The canonical SMILES for decyl N-hexylcarbamate is CCCCCCCCCCOC(=O)NCCCCCC.
What is the InChIKey of decyl N-hexylcarbamate?
The InChIKey is LWLAVIKVIPMFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-3-5-7-9-10-11-12-14-16-20-17(19)18-15-13-8-6-4-2/h3-16H2,1-2H3,(H,18,19).
What are the key properties of decyl N-hexylcarbamate?
decyl N-hexylcarbamate has a molecular weight of 285.47 g/mol, XLogP of 5.43, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl N-hexylcarbamate is sourced from PubChem (CID 11087369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).