Carbamic acid, isopentyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)

HCID 212917

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Basic information

CAS: 25384-88-7
Standard SMILES: CCCC(C)(CNC(=O)O)COC(=O)NCCC(C)C
InChIKey: QVGQWKMIRWZMAD-UHFFFAOYSA-N
Molecular formula: C14H28N2O4
Average molar mass: 288.38 g/mol
Monoisotopic mass: 288.20490738

Names & identifiers

Preferred name: Carbamic acid, isopentyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)
IUPAC: [2-methyl-2-(3-methylbutylcarbamoyloxymethyl)pentyl]carbamic acid

Names & synonyms

Isopentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl ester carbamate (ester)25384-88-7Carbamic acid, isopentyl-, 2-(hydroxymethyl)-2-methylpentyl ester, carbamate (ester)RefChem:332468DTXSID50948241[2-({Hydroxy[(3-methylbutyl)imino]methoxy}methyl)-2-methylpentyl]carbamic acid

Database identifiers

CAS: 25384-88-7
PubChem CID: 212917
DTXSID: DTXSID50948241

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 87.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 10
Heavy atoms: 20
Formal charge: 0
Complexity: 308

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