4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one

C15H22O4 — CID 131751394

IUPAC4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one
SMILESC=C1C(O)CC2C(C)CC(O)C3C(C)C(=O)OC3C12
InChIInChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h6,8-14,16-17H,2,4-5H2,1,3H3
InChIKeyIBIJTDJAWRYXRF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.12
Rot. Bonds

About 4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one

4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one (PubChem CID 131751394) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one.

Molecular Properties

Compound Name4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one
PubChem CID131751394
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one
SMILESC=C1C(O)CC2C(C)CC(O)C3C(C)C(=O)OC3C12
InChIInChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h6,8-14,16-17H,2,4-5H2,1,3H3
InChIKeyIBIJTDJAWRYXRF-UHFFFAOYSA-N
XLogP1.12
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one with MolForge

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Related Compounds

Cynaropicrin
CID 119093
(3aR,4S,6aR,9S,9aR,9bR)-Octahydro-4-hydroxy-9-methyl-3,6-bis(methylene)azuleno(4,5-b)furan-2,8(3H,4H)-dione
CID 442256
Inuviscolide
CID 176489
Britannin
CID 14466541
(3aR,4R,6aR,8S,9aR,9bR)-4,8-dihydroxy-3,6,9-trimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one
CID 184984
2-Desoxy-4-epi-pulchellin
CID 10399864
Zaluzanin C
CID 72646
Cynaratriol
CID 14138149
Isoamberboin
CID 14589063
Saupirin
CID 181128
Zaluzanin D
CID 12445012
Aguerin B
CID 155102

Frequently Asked Questions

What is the IUPAC name of 4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one?
The IUPAC name of 4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one (CID 131751394) is 4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one.
What is the SMILES notation for 4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one?
The canonical SMILES for 4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one is C=C1C(O)CC2C(C)CC(O)C3C(C)C(=O)OC3C12.
What is the InChIKey of 4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one?
The InChIKey is IBIJTDJAWRYXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h6,8-14,16-17H,2,4-5H2,1,3H3.
What are the key properties of 4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one?
4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one has a molecular weight of 266.34 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dihydroxy-3,6-dimethyl-9-methylidene-3,3a,4,5,6,6a,7,8,9a,9b-decahydroazuleno[4,5-b]furan-2-one is sourced from PubChem (CID 131751394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).