CAS 4625-90-5 1-Oxaspiro(4.5)decan-2-one, 8-(1-methylethyl)-, trans- (HCID 6452049)

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Basic information

CAS: 4625-90-5
Standard SMILES: CC(C)C1CCC2(CCC(=O)O2)CC1
InChIKey: VPSQYLNVIBQLTO-UHFFFAOYSA-N
Molecular formula: C12H20O2
Average molar mass: 196.29 g/mol

Overview

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Names & identifiers

Preferred name: 1-Oxaspiro(4.5)decan-2-one, 8-(1-methylethyl)-, trans-
IUPAC: 8-propan-2-yl-1-oxaspiro[4.5]decan-2-one

Names & synonyms

4625-90-51-Oxaspiro(4.5)decan-2-one, 8-(1-methylethyl)-, trans-SCHEMBL3023536SCHEMBL14836255SCHEMBL14836424VPSQYLNVIBQLTO-UMSPYCQHSA-NDTXSID8010212258-Isopropyl-1-oxaspiro[4.5]decan-2-oneNS00012765(5r,8r)-8-Isopropyl-1-oxaspiro[4.5]decan-2-one

Database identifiers

CAS: 4625-90-5
PubChem CID: 6452049
DTXSID: DTXSID801021225

Properties

Computed structural propertiesFilling in

XLogP: 2.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 224

Experimental & physicochemical properties

FragrancesFragrance Ingredient (1-Oxaspiro[4.5]decan-2-one, 8-(1-methylethyl)-, trans-) -> IFRA transparency List

Chemistry & industry

Uses & manufacturing

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Related reactions

1 records

New reaction record

HRID 463493As productuspto-grants-1985_05

Compound notes

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