6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one

C15H22O2 — CID 85126210

IUPAC6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one
SMILESCC1CCC2COC(=O)C2=C2CC(C)(C)CC21
InChIInChI=1S/C15H22O2/c1-9-4-5-10-8-17-14(16)13(10)12-7-15(2,3)6-11(9)12/h9-11H,4-8H2,1-3H3
InChIKeyBQADRYZOMNHMRC-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.32
Rot. Bonds

About 6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one

6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one (PubChem CID 85126210) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one.

Molecular Properties

Compound Name6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one
PubChem CID85126210
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one
SMILESCC1CCC2COC(=O)C2=C2CC(C)(C)CC21
InChIInChI=1S/C15H22O2/c1-9-4-5-10-8-17-14(16)13(10)12-7-15(2,3)6-11(9)12/h9-11H,4-8H2,1-3H3
InChIKeyBQADRYZOMNHMRC-UHFFFAOYSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one?
The IUPAC name of 6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one (CID 85126210) is 6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one.
What is the SMILES notation for 6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one?
The canonical SMILES for 6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one is CC1CCC2COC(=O)C2=C2CC(C)(C)CC21.
What is the InChIKey of 6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one?
The InChIKey is BQADRYZOMNHMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-4-5-10-8-17-14(16)13(10)12-7-15(2,3)6-11(9)12/h9-11H,4-8H2,1-3H3.
What are the key properties of 6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one?
6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8,8-trimethyl-3,3a,4,5,6,6a,7,9-octahydroazuleno[4,5-c]furan-1-one is sourced from PubChem (CID 85126210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).