6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione

C15H22O6 — CID 75154102

IUPAC6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione
SMILESCC1C(=O)OC2C1CCC(C)(O)C1(CCC(=O)O1)C2(C)O
InChIInChI=1S/C15H22O6/c1-8-9-4-6-13(2,18)15(7-5-10(16)21-15)14(3,19)11(9)20-12(8)17/h8-9,11,18-19H,4-7H2,1-3H3
InChIKeyOOVPUQLRCZYQEA-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.54
Rot. Bonds

About 6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione

6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione (PubChem CID 75154102) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione.

Molecular Properties

Compound Name6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione
PubChem CID75154102
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Name6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione
SMILESCC1C(=O)OC2C1CCC(C)(O)C1(CCC(=O)O1)C2(C)O
InChIInChI=1S/C15H22O6/c1-8-9-4-6-13(2,18)15(7-5-10(16)21-15)14(3,19)11(9)20-12(8)17/h8-9,11,18-19H,4-7H2,1-3H3
InChIKeyOOVPUQLRCZYQEA-UHFFFAOYSA-N
XLogP0.54
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione?
The IUPAC name of 6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione (CID 75154102) is 6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione.
What is the SMILES notation for 6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione?
The canonical SMILES for 6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione is CC1C(=O)OC2C1CCC(C)(O)C1(CCC(=O)O1)C2(C)O.
What is the InChIKey of 6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione?
The InChIKey is OOVPUQLRCZYQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-8-9-4-6-13(2,18)15(7-5-10(16)21-15)14(3,19)11(9)20-12(8)17/h8-9,11,18-19H,4-7H2,1-3H3.
What are the key properties of 6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione?
6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione has a molecular weight of 298.34 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydroxy-3,6,8-trimethylspiro[3a,4,5,8a-tetrahydro-3H-cyclohepta[b]furan-7,5'-oxolane]-2,2'-dione is sourced from PubChem (CID 75154102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).