5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one

C15H18O2 — CID 10977292

IUPAC5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one
SMILESCC1=C2CC(C)(C)CC2=CC2=C(C1)C(=O)OC2
InChIInChI=1S/C15H18O2/c1-9-4-12-11(8-17-14(12)16)5-10-6-15(2,3)7-13(9)10/h5H,4,6-8H2,1-3H3
InChIKeyOPHDICOAXLPQSX-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.31
Rot. Bonds

About 5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one

5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one (PubChem CID 10977292) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one.

Molecular Properties

Compound Name5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one
PubChem CID10977292
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one
SMILESCC1=C2CC(C)(C)CC2=CC2=C(C1)C(=O)OC2
InChIInChI=1S/C15H18O2/c1-9-4-12-11(8-17-14(12)16)5-10-6-15(2,3)7-13(9)10/h5H,4,6-8H2,1-3H3
InChIKeyOPHDICOAXLPQSX-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 5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one?
The IUPAC name of 5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one (CID 10977292) is 5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one.
What is the SMILES notation for 5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one?
The canonical SMILES for 5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one is CC1=C2CC(C)(C)CC2=CC2=C(C1)C(=O)OC2.
What is the InChIKey of 5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one?
The InChIKey is OPHDICOAXLPQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-9-4-12-11(8-17-14(12)16)5-10-6-15(2,3)7-13(9)10/h5H,4,6-8H2,1-3H3.
What are the key properties of 5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one?
5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-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 5,7,7-trimethyl-1,4,6,8-tetrahydroazuleno[5,6-c]furan-3-one is sourced from PubChem (CID 10977292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).