5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one

C15H22O4 — CID 536545

IUPAC5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one
SMILESCC1(C)CC2C(O)C3=C(COC3=O)CC(C)(O)C2C1
InChIInChI=1S/C15H22O4/c1-14(2)5-9-10(6-14)15(3,18)4-8-7-19-13(17)11(8)12(9)16/h9-10,12,16,18H,4-7H2,1-3H3
InChIKeyTZKBOHVMKZSNCG-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.41
Rot. Bonds

About 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one

5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one (PubChem CID 536545) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one.

Molecular Properties

Compound Name5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one
PubChem CID536545
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one
SMILESCC1(C)CC2C(O)C3=C(COC3=O)CC(C)(O)C2C1
InChIInChI=1S/C15H22O4/c1-14(2)5-9-10(6-14)15(3,18)4-8-7-19-13(17)11(8)12(9)16/h9-10,12,16,18H,4-7H2,1-3H3
InChIKeyTZKBOHVMKZSNCG-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Blennin B
CID 540389
5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one
CID 13995409
Blennin A
CID 14109863
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-
CID 156145
(6S,6aS,7R,9aR)-7-hydroxy-6,8,8-trimethyl-1,4,5,6,6a,7,9,9a-octahydroazuleno[4,5-c]furan-3-one
CID 73212333
Tremutin G
CID 156009478
Tremutin F
CID 156011974
Lactarorufin D
CID 13995413
Subvellerolactone B
CID 46933996

Frequently Asked Questions

What is the IUPAC name of 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one?
The IUPAC name of 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one (CID 536545) is 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one.
What is the SMILES notation for 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one?
The canonical SMILES for 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one is CC1(C)CC2C(O)C3=C(COC3=O)CC(C)(O)C2C1.
What is the InChIKey of 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one?
The InChIKey is TZKBOHVMKZSNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-14(2)5-9-10(6-14)15(3,18)4-8-7-19-13(17)11(8)12(9)16/h9-10,12,16,18H,4-7H2,1-3H3.
What are the key properties of 5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one?
5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one has a molecular weight of 266.34 g/mol, XLogP of 1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 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-hexahydro-3H-azuleno[5,6-c]furan-1-one is sourced from PubChem (CID 536545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).