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

C17H26O4 — CID 607620

IUPAC5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one
SMILESCCOC1(C)CC2=C(C(=O)OC2)C(O)C2CC(C)(C)CC21
InChIInChI=1S/C17H26O4/c1-5-21-17(4)6-10-9-20-15(19)13(10)14(18)11-7-16(2,3)8-12(11)17/h11-12,14,18H,5-9H2,1-4H3
InChIKeyVILMWSRAKSBVQN-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.45
Rot. Bonds2

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

5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one (PubChem CID 607620) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one.

Molecular Properties

Compound Name5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one
PubChem CID607620
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one
SMILESCCOC1(C)CC2=C(C(=O)OC2)C(O)C2CC(C)(C)CC21
InChIInChI=1S/C17H26O4/c1-5-21-17(4)6-10-9-20-15(19)13(10)14(18)11-7-16(2,3)8-12(11)17/h11-12,14,18H,5-9H2,1-4H3
InChIKeyVILMWSRAKSBVQN-UHFFFAOYSA-N
XLogP2.45
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one with MolForge

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Related Compounds

Crispanone
CID 131751697
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
Tremutin G
CID 156009478
Tremutin F
CID 156011974
2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6aR,9aR,9bR)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-9-methyl-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (2E)-
CID 6440697
Lactarorufin D
CID 13995413
ferupennin H
CID 44567134

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one?
The IUPAC name of 5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one (CID 607620) is 5-ethoxy-9-hydroxy-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-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one?
The canonical SMILES for 5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one is CCOC1(C)CC2=C(C(=O)OC2)C(O)C2CC(C)(C)CC21.
What is the InChIKey of 5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one?
The InChIKey is VILMWSRAKSBVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-5-21-17(4)6-10-9-20-15(19)13(10)14(18)11-7-16(2,3)8-12(11)17/h11-12,14,18H,5-9H2,1-4H3.
What are the key properties of 5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one?
5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one has a molecular weight of 294.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-9-hydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one is sourced from PubChem (CID 607620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).