(5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione

C15H18O4 — CID 163066059

IUPAC(5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione
SMILESCC1(C)CC2=C(C1)[C@](C)(O)CC1=C(COC1=O)C2=O
InChIInChI=1S/C15H18O4/c1-14(2)4-9-11(6-14)15(3,18)5-8-10(12(9)16)7-19-13(8)17/h18H,4-7H2,1-3H3/t15-/m1/s1
InChIKeyBGQJAZROCGOSFK-OAHLLOKOSA-N
MW262.30 g/mol
LogP1.68
Rot. Bonds

About (5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione

(5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione (PubChem CID 163066059) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is (5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione.

Molecular Properties

Compound Name(5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione
PubChem CID163066059
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name(5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione
SMILESCC1(C)CC2=C(C1)[C@](C)(O)CC1=C(COC1=O)C2=O
InChIInChI=1S/C15H18O4/c1-14(2)4-9-11(6-14)15(3,18)5-8-10(12(9)16)7-19-13(8)17/h18H,4-7H2,1-3H3/t15-/m1/s1
InChIKeyBGQJAZROCGOSFK-OAHLLOKOSA-N
XLogP1.68
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione with MolForge

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Related Compounds

ethyl 3-[(1S,5S)-5-butyl-1-hydroxy-2,3-dimethyl-4-oxocyclopent-2-en-1-yl]propanoate
CID 155542536
(6S,6aR,9aS,9bR)-6a-hydroxy-3-(hydroxymethyl)-6,9a-dimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
CID 11694796
3,13-Dihydroxy-8-oxo-2(9),6-lactaradien-5-oic acid y-lactone
CID 14314435
(5S,5aS,8aR,9S)-5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-3H-azuleno[5,6-c]furan-1-one
CID 46934148
ethyl 2-[(1S,2S)-2-hydroxy-3,4-dimethyl-5-oxo-2-pentylcyclopent-3-en-1-yl]acetate
CID 162860400
10-Butyl-2-hydroxy-2-pentyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone
CID 134864427
(S)-5-butyl-5-((S,Z)-4-(1-hydroxyethylidene)-3-methyl-5-oxotetrahydrofuran-3-yl)-3,4-dimethylfuran-2(5H)-one
CID 139598331
5,9-Dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydroazuleno[5,6-c]furan-1,3-dione
CID 154814069
4,8-Dihydroxy-6,6,8-trimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[5,6-c]furan-3(1H)-one
CID 536545
8-Ethoxy-4-hydroxy-6,6,8-trimethyl-4,4a,5,6,7,7a,8,9-octahydroazuleno[5,6-c]furan-3(1H)-one
CID 607620
2-(1-Cyclopentyl-3-oxo-5-propoxypentylidene)butanedioic acid
CID 69811141
(5S,5aS,8aR)-5-hydroxy-5,7,7-trimethyl-3,4,5a,6,8,8a-hexahydroazuleno[5,6-c]furan-1,9-dione
CID 10378122

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione?
The IUPAC name of (5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione (CID 163066059) is (5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione.
What is the SMILES notation for (5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione?
The canonical SMILES for (5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione is CC1(C)CC2=C(C1)[C@](C)(O)CC1=C(COC1=O)C2=O.
What is the InChIKey of (5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione?
The InChIKey is BGQJAZROCGOSFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18O4/c1-14(2)4-9-11(6-14)15(3,18)5-8-10(12(9)16)7-19-13(8)17/h18H,4-7H2,1-3H3/t15-/m1/s1.
What are the key properties of (5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione?
(5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione has a molecular weight of 262.30 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione is sourced from PubChem (CID 163066059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).