decyl N-(2-ethylhexyl)carbamate

C19H39NO2 — CID 91692854

IUPACdecyl N-(2-ethylhexyl)carbamate
SMILESCCCCCCCCCCOC(=O)NCC(CC)CCCC
InChIInChI=1S/C19H39NO2/c1-4-7-9-10-11-12-13-14-16-22-19(21)20-17-18(6-3)15-8-5-2/h18H,4-17H2,1-3H3,(H,20,21)
InChIKeyJFTZSIGBMDPSSZ-UHFFFAOYSA-N
MW313.53 g/mol
LogP6.07
Rot. Bonds15

About decyl N-(2-ethylhexyl)carbamate

decyl N-(2-ethylhexyl)carbamate (PubChem CID 91692854) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is decyl N-(2-ethylhexyl)carbamate.

Molecular Properties

Compound Namedecyl N-(2-ethylhexyl)carbamate
PubChem CID91692854
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Namedecyl N-(2-ethylhexyl)carbamate
SMILESCCCCCCCCCCOC(=O)NCC(CC)CCCC
InChIInChI=1S/C19H39NO2/c1-4-7-9-10-11-12-13-14-16-22-19(21)20-17-18(6-3)15-8-5-2/h18H,4-17H2,1-3H3,(H,20,21)
InChIKeyJFTZSIGBMDPSSZ-UHFFFAOYSA-N
XLogP6.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.07
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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Related Compounds

Butyl-carbamic acid 12-butylcarbamoyloxy-dodecyl ester
CID 20186976
Butyl-carbamic acid 10-butylcarbamoyloxy-decyl ester
CID 44392437
Butyl-carbamic acid 8-butylcarbamoyloxy-octyl ester
CID 44392426
Butyl-carbamic acid 14-butylcarbamoyloxy-tetradecyl ester
CID 44392446
Butyl-carbamic acid 16-butylcarbamoyloxy-hexadecyl ester
CID 44392449
1,6-Bis(octoxycarbonylamino)hexane
CID 14793287
4-cyclohexylbutyl N-cyclohexylcarbamate
CID 22978793
Hexadecyl cyclohexylcarbamate
CID 46229791
n-Decyl n-hexylcarbamate
CID 11087369
octyl N-octylcarbamate
CID 20186313
2-Ethylhexyl (6-isocyanatohexyl)-carbamate
CID 16205032
2-propylpentyl N-cyclohexylcarbamate
CID 57342031

Frequently Asked Questions

What is the IUPAC name of decyl N-(2-ethylhexyl)carbamate?
The IUPAC name of decyl N-(2-ethylhexyl)carbamate (CID 91692854) is decyl N-(2-ethylhexyl)carbamate.
What is the SMILES notation for decyl N-(2-ethylhexyl)carbamate?
The canonical SMILES for decyl N-(2-ethylhexyl)carbamate is CCCCCCCCCCOC(=O)NCC(CC)CCCC.
What is the InChIKey of decyl N-(2-ethylhexyl)carbamate?
The InChIKey is JFTZSIGBMDPSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-4-7-9-10-11-12-13-14-16-22-19(21)20-17-18(6-3)15-8-5-2/h18H,4-17H2,1-3H3,(H,20,21).
What are the key properties of decyl N-(2-ethylhexyl)carbamate?
decyl N-(2-ethylhexyl)carbamate has a molecular weight of 313.53 g/mol, XLogP of 6.07, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl N-(2-ethylhexyl)carbamate is sourced from PubChem (CID 91692854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).