5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione

C15H18O5 — CID 162930746

IUPAC5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione
SMILESC=C1C(=O)OC2C=C(C)CC(O)C=C(C)C(O)C(=O)C12
InChIInChI=1S/C15H18O5/c1-7-4-10(16)6-8(2)13(17)14(18)12-9(3)15(19)20-11(12)5-7/h5-6,10-13,16-17H,3-4H2,1-2H3
InChIKeyNJTZIALRXIINKH-UHFFFAOYSA-N
MW278.30 g/mol
LogP0.67
Rot. Bonds

About 5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione

5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione (PubChem CID 162930746) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is 5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione.

Molecular Properties

Compound Name5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione
PubChem CID162930746
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Name5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione
SMILESC=C1C(=O)OC2C=C(C)CC(O)C=C(C)C(O)C(=O)C12
InChIInChI=1S/C15H18O5/c1-7-4-10(16)6-8(2)13(17)14(18)12-9(3)15(19)20-11(12)5-7/h5-6,10-13,16-17H,3-4H2,1-2H3
InChIKeyNJTZIALRXIINKH-UHFFFAOYSA-N
XLogP0.67
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione with MolForge

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Related Compounds

(10E)-4,8-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 5384308
(3aR,6E,8S,10E)-8-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 118701730
(8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl) acetate
CID 162891935
[(3aS,5S,6E,8R,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] (Z)-2-(hydroxymethyl)but-2-enoate
CID 163000285
[(3aS,4R,6E,8R,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate
CID 162987704
5,8-dihydroxy-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
CID 162945492
[(3aR,4R,6Z,8S,10Z,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate
CID 6440451
[(3aS,4R,6E,8R,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
CID 162980139
[(3aR,4R,8S,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylbut-2-enoate
CID 171319643
[(10E)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-(hydroxymethyl)-3-methyloxirane-2-carboxylate
CID 5384307
(3aR,4R,5E,9R,10Z,11aS)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 163075602
(3aS,4R,9S,10Z,11aS)-4,9-dihydroxy-6,10-dimethyl-3-methylidene-3a,4,7,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 155802441

Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione?
The IUPAC name of 5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione (CID 162930746) is 5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione.
What is the SMILES notation for 5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione?
The canonical SMILES for 5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione is C=C1C(=O)OC2C=C(C)CC(O)C=C(C)C(O)C(=O)C12.
What is the InChIKey of 5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione?
The InChIKey is NJTZIALRXIINKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-7-4-10(16)6-8(2)13(17)14(18)12-9(3)15(19)20-11(12)5-7/h5-6,10-13,16-17H,3-4H2,1-2H3.
What are the key properties of 5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione?
5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione has a molecular weight of 278.30 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroxy-6,10-dimethyl-3-methylidene-5,8,9,11a-tetrahydro-3aH-cyclodeca[b]furan-2,4-dione is sourced from PubChem (CID 162930746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).