(6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione

C15H20O4 — CID 11097419

IUPAC(6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
SMILESCC1=C2CC[C@H](C)[C@]3(O)CCC(=O)[C@@]3(C)[C@@H]2OC1=O
InChIInChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,12,18H,4-7H2,1-3H3/t8-,12+,14-,15+/m0/s1
InChIKeyAEVZZALQJYKVBB-VLBDWWMKSA-N
MW264.32 g/mol
LogP1.76
Rot. Bonds

About (6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione

(6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione (PubChem CID 11097419) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione.

Molecular Properties

Compound Name(6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
PubChem CID11097419
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione
SMILESCC1=C2CC[C@H](C)[C@]3(O)CCC(=O)[C@@]3(C)[C@@H]2OC1=O
InChIInChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,12,18H,4-7H2,1-3H3/t8-,12+,14-,15+/m0/s1
InChIKeyAEVZZALQJYKVBB-VLBDWWMKSA-N
XLogP1.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione?
The IUPAC name of (6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione (CID 11097419) is (6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione.
What is the SMILES notation for (6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione?
The canonical SMILES for (6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione is CC1=C2CC[C@H](C)[C@]3(O)CCC(=O)[C@@]3(C)[C@@H]2OC1=O.
What is the InChIKey of (6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione?
The InChIKey is AEVZZALQJYKVBB-VLBDWWMKSA-N. The full InChI is InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,12,18H,4-7H2,1-3H3/t8-,12+,14-,15+/m0/s1.
What are the key properties of (6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione?
(6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione has a molecular weight of 264.32 g/mol, XLogP of 1.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,6aR,9aS,9bR)-6a-hydroxy-3,6,9a-trimethyl-4,5,6,7,8,9b-hexahydroazuleno[8,7-b]furan-2,9-dione is sourced from PubChem (CID 11097419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).