(-)-Mintlactone

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Basic information

CAS: 16434-36-9
Standard SMILES: CC1=C2CC[C@@H](C)C[C@H]2OC1=O
InChIKey: VUVQBYIJRDUVHT-HZGVNTEJSA-N
Molecular formula: C10H14O2
Average molar mass: 166.22 g/mol
Monoisotopic mass: 166.09937969

Overview

See also: Menthalactone (annotation moved to).

Names & identifiers

Preferred name: (-)-Mintlactone
IUPAC: (6R,7aR)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
English name: Dehydroxymenthofurolactone
Molecular formula: C10H14O2
Molecular weight: 166.22

Names & synonyms

(-)-MintlactoneUNII-X2T3I06CWREINECS 236-390-6RTX0Q4YJ2U38049-04-6(+/-)-Mintlactone2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, trans-2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aR)-rel-2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, trans-(+/-)-16434-36-9UNII-RTX0Q4YJ2UMINTLACTONE [FHFI]

Show more names

Dehydroxymenthofurolactone5,6,7,7aα-Tetrahydro-3,6β-dimethylbenzofuran-2(4H)-one(6R)-5,6,7,7aα-Tetrahydro-3,6-dimethylbenzofuran-2(4H)-one(6R)-3,6β-Dimethyl-5,6,7,7aα-tetrahydrobenzofuran-2(4H)-one(6R)-3,6β-Dimethyl-4,5,6,7-tetrahydrobenzofuran-2(7aαH)-one2(4H)-Benzofuranone, 5,6,7,7a-tetrahydro-3,6-dimethyl-, (6R,7aR)-

MINTLACTONE, (-)SCHEMBL783669(6R,7aR)-3,6-Dimethyl-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one(6R,7aR)-3,6-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2(4H)-oneInChI=1/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6,9H,3-5H2,1-2H3/t6-,9-/m1/s

Database identifiers

CAS: 16434-36-9、38049-04-6
PubChem CID: 642875
UNII: RTX0Q4YJ2U、X2T3I06CWR
Nikkaji: J19.029B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 253

Physicochemical properties

Boiling point: 303.7 · 303.7±11.0 °C(Predicted)
Density: 1.07 · 1.07±0.1 g/cm3(Predicted)
LogP: 1.811 · 1.811 (est)
FDA UNII: 2 T3I06CWR · X2T3I06CWR

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Compound notes

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