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

C15H18O4 — CID 14314435

IUPAC(5S)-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-/m0/s1
InChIKeyBGQJAZROCGOSFK-HNNXBMFYSA-N
MW262.30 g/mol
LogP1.68
Rot. Bonds

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

(5S)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione (PubChem CID 14314435) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is (5S)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione.

Molecular Properties

Compound Name(5S)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione
PubChem CID14314435
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name(5S)-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-/m0/s1
InChIKeyBGQJAZROCGOSFK-HNNXBMFYSA-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 (5S)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione?
The IUPAC name of (5S)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione (CID 14314435) is (5S)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione.
What is the SMILES notation for (5S)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione?
The canonical SMILES for (5S)-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 (5S)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione?
The InChIKey is BGQJAZROCGOSFK-HNNXBMFYSA-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-/m0/s1.
What are the key properties of (5S)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione?
(5S)-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 (5S)-5-hydroxy-5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3,9-dione is sourced from PubChem (CID 14314435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).