octyl N-(2-ethylhexyl)carbamate

C17H35NO2 — CID 91692853

IUPACoctyl N-(2-ethylhexyl)carbamate
SMILESCCCCCCCCOC(=O)NCC(CC)CCCC
InChIInChI=1S/C17H35NO2/c1-4-7-9-10-11-12-14-20-17(19)18-15-16(6-3)13-8-5-2/h16H,4-15H2,1-3H3,(H,18,19)
InChIKeySDTSBTXASHYMDS-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.29
Rot. Bonds13

About octyl N-(2-ethylhexyl)carbamate

octyl N-(2-ethylhexyl)carbamate (PubChem CID 91692853) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is octyl N-(2-ethylhexyl)carbamate.

Molecular Properties

Compound Nameoctyl N-(2-ethylhexyl)carbamate
PubChem CID91692853
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Nameoctyl N-(2-ethylhexyl)carbamate
SMILESCCCCCCCCOC(=O)NCC(CC)CCCC
InChIInChI=1S/C17H35NO2/c1-4-7-9-10-11-12-14-20-17(19)18-15-16(6-3)13-8-5-2/h16H,4-15H2,1-3H3,(H,18,19)
InChIKeySDTSBTXASHYMDS-UHFFFAOYSA-N
XLogP5.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.29
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 octyl N-(2-ethylhexyl)carbamate?
The IUPAC name of octyl N-(2-ethylhexyl)carbamate (CID 91692853) is octyl N-(2-ethylhexyl)carbamate.
What is the SMILES notation for octyl N-(2-ethylhexyl)carbamate?
The canonical SMILES for octyl N-(2-ethylhexyl)carbamate is CCCCCCCCOC(=O)NCC(CC)CCCC.
What is the InChIKey of octyl N-(2-ethylhexyl)carbamate?
The InChIKey is SDTSBTXASHYMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-7-9-10-11-12-14-20-17(19)18-15-16(6-3)13-8-5-2/h16H,4-15H2,1-3H3,(H,18,19).
What are the key properties of octyl N-(2-ethylhexyl)carbamate?
octyl N-(2-ethylhexyl)carbamate has a molecular weight of 285.47 g/mol, XLogP of 5.29, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-(2-ethylhexyl)carbamate is sourced from PubChem (CID 91692853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).