5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione

C15H20O5 — CID 154814069

IUPAC5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione
SMILESCC1(C)CC2C(O)C3=C(CC(C)(O)C2C1)C(=O)OC3=O
InChIInChI=1S/C15H20O5/c1-14(2)4-7-9(6-14)15(3,19)5-8-10(11(7)16)13(18)20-12(8)17/h7,9,11,16,19H,4-6H2,1-3H3
InChIKeyMRKJHJBMSPPNKC-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.93
Rot. Bonds

About 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione

5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione (PubChem CID 154814069) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione.

Molecular Properties

Compound Name5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione
PubChem CID154814069
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione
SMILESCC1(C)CC2C(O)C3=C(CC(C)(O)C2C1)C(=O)OC3=O
InChIInChI=1S/C15H20O5/c1-14(2)4-7-9(6-14)15(3,19)5-8-10(11(7)16)13(18)20-12(8)17/h7,9,11,16,19H,4-6H2,1-3H3
InChIKeyMRKJHJBMSPPNKC-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one
CID 13995409
Hymenin
CID 10499
Blennin A
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Lactarorufin B
CID 182703
(+)-(1R,6S,7S)-Tremul-2-Ene-12(11)-Lactone
CID 46872583
(5S,5aS,8aR,9S)-5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one
CID 10869217
Azuleno(5,6-c)furan-1(3H)-one, 4,4a,5,6,7,7a,8,9-octahydro-3,4,8-trihydroxy-6,6,8-trimethyl-
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Tremutin G
CID 156009478

Frequently Asked Questions

What is the IUPAC name of 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione?
The IUPAC name of 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione (CID 154814069) is 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione.
What is the SMILES notation for 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione?
The canonical SMILES for 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione is CC1(C)CC2C(O)C3=C(CC(C)(O)C2C1)C(=O)OC3=O.
What is the InChIKey of 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione?
The InChIKey is MRKJHJBMSPPNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c1-14(2)4-7-9(6-14)15(3,19)5-8-10(11(7)16)13(18)20-12(8)17/h7,9,11,16,19H,4-6H2,1-3H3.
What are the key properties of 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione?
5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione has a molecular weight of 280.32 g/mol, XLogP of 0.93, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione is sourced from PubChem (CID 154814069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).