5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one

C15H18O2 — CID 15663244

IUPAC5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one
SMILESCC1=CC2=C(CC(C)(C)C2)C2=C(COC2=O)C1
InChIInChI=1S/C15H18O2/c1-9-4-10-6-15(2,3)7-12(10)13-11(5-9)8-17-14(13)16/h4H,5-8H2,1-3H3
InChIKeyRQMFRIGGRLUCMK-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.31
Rot. Bonds

About 5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one

5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one (PubChem CID 15663244) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one.

Molecular Properties

Compound Name5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one
PubChem CID15663244
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one
SMILESCC1=CC2=C(CC(C)(C)C2)C2=C(COC2=O)C1
InChIInChI=1S/C15H18O2/c1-9-4-10-6-15(2,3)7-12(10)13-11(5-9)8-17-14(13)16/h4H,5-8H2,1-3H3
InChIKeyRQMFRIGGRLUCMK-UHFFFAOYSA-N
XLogP3.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one?
The IUPAC name of 5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one (CID 15663244) is 5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one.
What is the SMILES notation for 5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one?
The canonical SMILES for 5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one is CC1=CC2=C(CC(C)(C)C2)C2=C(COC2=O)C1.
What is the InChIKey of 5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one?
The InChIKey is RQMFRIGGRLUCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-9-4-10-6-15(2,3)7-12(10)13-11(5-9)8-17-14(13)16/h4H,5-8H2,1-3H3.
What are the key properties of 5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one?
5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one has a molecular weight of 230.31 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,8-trimethyl-3,4,7,9-tetrahydroazuleno[4,5-c]furan-1-one is sourced from PubChem (CID 15663244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).