2-(Hydroxymethyl)-2-methylpentyl hydrogen pentylcarbonimidate

HCID 212902

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Basic information

CAS: 25384-36-5
Standard SMILES: CCCCCNC(=O)OCC(C)(CO)CCC
InChIKey: JIDYTMFOTKUYDJ-UHFFFAOYSA-N
Molecular formula: C13H27NO3
Average molar mass: 245.36 g/mol
Monoisotopic mass: 245.19909372

Names & identifiers

Preferred name: 2-(Hydroxymethyl)-2-methylpentyl hydrogen pentylcarbonimidate
IUPAC: [2-(hydroxymethyl)-2-methylpentyl] N-pentylcarbamate

Names & synonyms

25384-36-5DTXSID709482232-(Hydroxymethyl)-2-methylpentyl hydrogen pentylcarbonimidateRefChem:1061861DTXCID801376460Pentylcarbamic acid 2-(hydroxymethyl)-2-methylpentyl esterCarbamic acid, pentyl-,2-(hydroxymethyl)-2-methylpentyl ester (8CI)BRN 3049721[2-(hydroxymethyl)-2-methylpentyl] N-pentylcarbamateCarbamic acid, pentyl-, 2-(hydroxymethyl)-2-methylpentyl ester

Database identifiers

CAS: 25384-36-5
PubChem CID: 212902
DTXSID: DTXSID70948223

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 10
Heavy atoms: 17
Formal charge: 0
Complexity: 209

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