4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one

C14H16O2 — CID 10998436

IUPAC4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one
SMILESCC1=CC(=O)CC2(C)C(C)=C3CCOC3=C12
InChIInChI=1S/C14H16O2/c1-8-6-10(15)7-14(3)9(2)11-4-5-16-13(11)12(8)14/h6H,4-5,7H2,1-3H3
InChIKeyIIGFSJGRJFGGCF-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.92
Rot. Bonds

About 4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one

4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one (PubChem CID 10998436) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one.

Molecular Properties

Compound Name4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one
PubChem CID10998436
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one
SMILESCC1=CC(=O)CC2(C)C(C)=C3CCOC3=C12
InChIInChI=1S/C14H16O2/c1-8-6-10(15)7-14(3)9(2)11-4-5-16-13(11)12(8)14/h6H,4-5,7H2,1-3H3
InChIKeyIIGFSJGRJFGGCF-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one?
The IUPAC name of 4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one (CID 10998436) is 4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one.
What is the SMILES notation for 4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one?
The canonical SMILES for 4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one is CC1=CC(=O)CC2(C)C(C)=C3CCOC3=C12.
What is the InChIKey of 4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one?
The InChIKey is IIGFSJGRJFGGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-8-6-10(15)7-14(3)9(2)11-4-5-16-13(11)12(8)14/h6H,4-5,7H2,1-3H3.
What are the key properties of 4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one?
4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one has a molecular weight of 216.28 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a,8-trimethyl-3,5-dihydro-2H-indeno[1,2-b]furan-6-one is sourced from PubChem (CID 10998436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).