2-ethylhexyl N-(2-methoxyethyl)carbamate

C12H25NO3 — CID 18954420

IUPAC2-ethylhexyl N-(2-methoxyethyl)carbamate
SMILESCCCCC(CC)COC(=O)NCCOC
InChIInChI=1S/C12H25NO3/c1-4-6-7-11(5-2)10-16-12(14)13-8-9-15-3/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyMBQZGONXLVOJML-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.58
Rot. Bonds9

About 2-ethylhexyl N-(2-methoxyethyl)carbamate

2-ethylhexyl N-(2-methoxyethyl)carbamate (PubChem CID 18954420) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-ethylhexyl N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name2-ethylhexyl N-(2-methoxyethyl)carbamate
PubChem CID18954420
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name2-ethylhexyl N-(2-methoxyethyl)carbamate
SMILESCCCCC(CC)COC(=O)NCCOC
InChIInChI=1S/C12H25NO3/c1-4-6-7-11(5-2)10-16-12(14)13-8-9-15-3/h11H,4-10H2,1-3H3,(H,13,14)
InChIKeyMBQZGONXLVOJML-UHFFFAOYSA-N
XLogP2.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethylhexyl N-(4-hydroxybutyl)carbamate
CID 54017196
sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
CID 175143259
2-ethylhexyl 2-amino-5-methoxypentanoate
CID 81086073
2-ethylhexyl N-ethenylcarbamate
CID 21260803
2-ethylhexyl butanoate;2-methoxyethanol
CID 174874181
2-ethylhexyl N-[3,5-bis(methoxycarbonylamino)-1,3,5-triazinan-1-yl]carbamate
CID 67788052
2-(2-ethylhexyl)-1-(2-methoxyethyl)guanidine;hydroiodide
CID 110925196
[6-[6-[6-[6-(2-ethylhexoxy)-6-oxohexoxy]-6-oxohexoxy]-6-oxohexoxy]-6-oxohexyl] 6-[6-[6-[6-[6-[6-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoyloxy]hexanoate
CID 58107919
2-ethylhexyl bis(2-ethylhexoxy)phosphorylformate
CID 54560727
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
N'-[(2S)-2-ethylhexyl]-N-(3-methoxypropyl)oxamide
CID 39358705

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-(2-methoxyethyl)carbamate?
The IUPAC name of 2-ethylhexyl N-(2-methoxyethyl)carbamate (CID 18954420) is 2-ethylhexyl N-(2-methoxyethyl)carbamate.
What is the SMILES notation for 2-ethylhexyl N-(2-methoxyethyl)carbamate?
The canonical SMILES for 2-ethylhexyl N-(2-methoxyethyl)carbamate is CCCCC(CC)COC(=O)NCCOC.
What is the InChIKey of 2-ethylhexyl N-(2-methoxyethyl)carbamate?
The InChIKey is MBQZGONXLVOJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-4-6-7-11(5-2)10-16-12(14)13-8-9-15-3/h11H,4-10H2,1-3H3,(H,13,14).
What are the key properties of 2-ethylhexyl N-(2-methoxyethyl)carbamate?
2-ethylhexyl N-(2-methoxyethyl)carbamate has a molecular weight of 231.34 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 18954420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).