4-(Decyloxy)butan-2-ol

Substructure search Find similar structures

Basic information

CAS: 97209-96-6
Standard SMILES: CCCCCCCCCCOCCC(C)O
InChIKey: UCMHUESBHQTSMQ-UHFFFAOYSA-N
Molecular formula: C14H30O2
Average molar mass: 230.39 g/mol
Monoisotopic mass: 230.2245802

Names & identifiers

Preferred name: 4-(Decyloxy)butan-2-ol
IUPAC: 4-decoxybutan-2-ol

Names & synonyms

97209-96-64-(decyloxy)butan-2-olDTXSID40914056RefChem:1070076DTXCID8013430514-(Decyloxy)-2-butanol4-decoxybutan-2-olBRN 54923032-BUTANOL, 4-(DECYLOXY)-SCHEMBL105141884-(Decyloxy)-2-butanol, BRN 5492303, 2-BUTANOL, 4-(DECYLOXY)-, 97209-96-6, 4-decoxybutan-2-ol, AC1L1MHS, 4-(decyloxy)butan-2-ol, LS-46481

Database identifiers

CAS: 97209-96-6
PubChem CID: 57185
DTXSID: DTXSID40914056

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 12
Heavy atoms: 16
Formal charge: 0
Complexity: 126

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…