Basic information
- CAS
5586-62-9- Standard SMILES
CCC(O)(c1ccccc1)C(C)OC(N)=O- InChIKey
VJCSPNRFSSSXEP-UHFFFAOYSA-N- Molecular formula
- C12H17NO3
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.1208434
Names & identifiers
- Preferred name
- 3-Hydroxy-3-phenylpentane-2-carbamate
- IUPAC
- (3-hydroxy-3-phenylpentan-2-yl) carbamate
Names & synonyms
3-HYDROXY-3-PHENYLPENTANE-2-CARBAMATE5586-62-92,3-Pentanediol, 3-phenyl-, 2-carbamatePM5175P38TUNII-PM5175P38T(3-hydroxy-3-phenylpentan-2-yl) carbamateDTXSID10274715Carbamic acid, beta-ethyl-beta-hydroxy-alpha-methylphenethyl ester3-hydroxy-3-phenylpentan-2-yl carbamateQ27286631CARBAMIC ACID, .BETA.-ETHYL-.BETA.-HYDROXY-.ALPHA.-METHYLPHENETHYL ESTER
Database identifiers
- CAS
5586-62-9- PubChem CID
- 21774
- DTXSID
DTXSID10274715- UNII
- PM5175P38T
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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