4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione

C15H20O5 — CID 72666597

IUPAC4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione
SMILESCC1=CC(=O)C=C(C)C(O)C2OC(=O)C(C)C2C(O)C1
InChIInChI=1S/C15H20O5/c1-7-4-10(16)6-8(2)13(18)14-12(11(17)5-7)9(3)15(19)20-14/h4,6,9,11-14,17-18H,5H2,1-3H3
InChIKeyUHAYFOFAYDNLOR-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.75
Rot. Bonds

About 4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione

4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione (PubChem CID 72666597) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione.

Molecular Properties

Compound Name4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione
PubChem CID72666597
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione
SMILESCC1=CC(=O)C=C(C)C(O)C2OC(=O)C(C)C2C(O)C1
InChIInChI=1S/C15H20O5/c1-7-4-10(16)6-8(2)13(18)14-12(11(17)5-7)9(3)15(19)20-14/h4,6,9,11-14,17-18H,5H2,1-3H3
InChIKeyUHAYFOFAYDNLOR-UHFFFAOYSA-N
XLogP0.75
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione with MolForge

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

Launch Full Analysis

Related Compounds

4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
CID 14138137
(3S,3aR,4S,6aS,7R,9aR,9bR)-4,7-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,9a,9b-octahydroazuleno[4,5-b]furan-2-one
CID 163056398
(3aR,9R,9bR)-4-hydroxy-3,9-dimethyl-6-methylidene-3a,4,5,6a,7,9,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2,8-dione
CID 5317846
4-hydroxy-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 71439886
(3S,3aR,4S,6aR,9S,9aS,9bR)-4-hydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
CID 10800690
(3S,3aR,4S,6aR,8S,9R,9aR,9bR)-4,8-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
CID 162992585
(3R,3aR,4S,6aR,8S,9S,9aR,9bR)-4,8-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
CID 162992582
4,8-dihydroxy-3-methyl-6,9-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydro-3H-azuleno[4,5-b]furan-2-one
CID 15628151
[(4S,6E,9Z,11R,11aS)-11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
CID 166099528
(11-hydroxy-6,10-dimethyl-3-methylidene-2,8-dioxo-4,5,11,11a-tetrahydro-3aH-cyclodeca[b]furan-4-yl) 2-methylbut-2-enoate
CID 3483303
7,11,13-trihydroxy-5,13-dimethyl-9-methylidene-3,14-dioxatricyclo[9.2.1.02,6]tetradecan-4-one
CID 72666596
(3aR,4S,6Z,10E,11aR)-4-hydroxy-10-(hydroxymethyl)-3,6-dimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 177438384

Frequently Asked Questions

What is the IUPAC name of 4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione?
The IUPAC name of 4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione (CID 72666597) is 4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione.
What is the SMILES notation for 4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione?
The canonical SMILES for 4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione is CC1=CC(=O)C=C(C)C(O)C2OC(=O)C(C)C2C(O)C1.
What is the InChIKey of 4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione?
The InChIKey is UHAYFOFAYDNLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-7-4-10(16)6-8(2)13(18)14-12(11(17)5-7)9(3)15(19)20-14/h4,6,9,11-14,17-18H,5H2,1-3H3.
What are the key properties of 4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione?
4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione has a molecular weight of 280.32 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dihydroxy-3,6,10-trimethyl-3,3a,4,5,11,11a-hexahydrocyclodeca[b]furan-2,8-dione is sourced from PubChem (CID 72666597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).