tert-butyl N-(4-butyl-4-hydroxycyclohexyl)carbamate

HCID 68459705

Notes Reactions

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Basic information

Standard SMILES: CCCCC1(O)CCC(NC(=O)OC(C)(C)C)CC1
InChIKey: BTDVWSQYGXHKAJ-UHFFFAOYSA-N
Molecular formula: C15H29NO3
Average molar mass: 271.4 g/mol
Monoisotopic mass: 271.21474379

Names & identifiers

Preferred name: tert-butyl N-(4-butyl-4-hydroxycyclohexyl)carbamate
IUPAC: tert-butyl N-(4-butyl-4-hydroxycyclohexyl)carbamate

Names & synonyms

tert-butyl N-(4-butyl-4-hydroxycyclohexyl)carbamate913747-62-3SCHEMBL2965556BTDVWSQYGXHKAJ-UHFFFAOYSA-Nt-butyl 4-butyl-4-hydroxycyclohexylcarbamateEN300-7548171

Database identifiers

PubChem CID: 68459705

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 58.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 288

Related reactions

2 records

New reaction record

HRID 94989As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 500066As productuspto-grants-2010_08

Compound notes

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