7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one

C10H16O3 — CID 152758775

IUPAC7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one
SMILESCC1(C)CCC(O)C2OC(=O)CC21
InChIInChI=1S/C10H16O3/c1-10(2)4-3-7(11)9-6(10)5-8(12)13-9/h6-7,9,11H,3-5H2,1-2H3
InChIKeyYGYBGXGCCBDSOK-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.10
Rot. Bonds

About 7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one

7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one (PubChem CID 152758775) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one.

Molecular Properties

Compound Name7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one
PubChem CID152758775
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one
SMILESCC1(C)CCC(O)C2OC(=O)CC21
InChIInChI=1S/C10H16O3/c1-10(2)4-3-7(11)9-6(10)5-8(12)13-9/h6-7,9,11H,3-5H2,1-2H3
InChIKeyYGYBGXGCCBDSOK-UHFFFAOYSA-N
XLogP1.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one with MolForge

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Related Compounds

(3aS,4S,5aS,9aS,9bR)-4-hydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 16105421
Rivulalactone
CID 10656064
Pathylactone A
CID 11357249
(3S,3aS,5aS,6S,9S,9aR,9bS)-6,9,9a-trihydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9b-octahydrobenzo[g][1]benzofuran-2-one
CID 101673683
Lactinolide
CID 14336593
Sterebin O
CID 102128883
Oblongolide R
CID 44471973
(6S,7R,7aS)-6,7-dihydroxy-3,6-dimethyl-3,3a,4,5,7,7a-hexahydro-1-benzouran-2-one
CID 139588648
Terreinlactone C
CID 170988382
Hexahydro-7-hydroxy-2(3H)-benzofuranone
CID 12316130
4,5-Dihydroxy-3a,6,6,9a-tetramethyl-1,4,5,5a,7,8,9,9b-octahydrobenzo[e][1]benzofuran-2-one
CID 123761722
7-hydroxy-6-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one
CID 153932299

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one?
The IUPAC name of 7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one (CID 152758775) is 7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one.
What is the SMILES notation for 7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one?
The canonical SMILES for 7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one is CC1(C)CCC(O)C2OC(=O)CC21.
What is the InChIKey of 7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one?
The InChIKey is YGYBGXGCCBDSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-10(2)4-3-7(11)9-6(10)5-8(12)13-9/h6-7,9,11H,3-5H2,1-2H3.
What are the key properties of 7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one?
7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one has a molecular weight of 184.23 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4,4-dimethyl-3,3a,5,6,7,7a-hexahydro-1-benzofuran-2-one is sourced from PubChem (CID 152758775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).