3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one

C14H16O2 — CID 11171951

IUPAC3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one
SMILESCC1=C2CC3=CCC(C)(C)CC3=C2OC1=O
InChIInChI=1S/C14H16O2/c1-8-10-6-9-4-5-14(2,3)7-11(9)12(10)16-13(8)15/h4H,5-7H2,1-3H3
InChIKeyCQXCIRSMZOFDAW-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.26
Rot. Bonds

About 3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one

3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one (PubChem CID 11171951) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one.

Molecular Properties

Compound Name3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one
PubChem CID11171951
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one
SMILESCC1=C2CC3=CCC(C)(C)CC3=C2OC1=O
InChIInChI=1S/C14H16O2/c1-8-10-6-9-4-5-14(2,3)7-11(9)12(10)16-13(8)15/h4H,5-7H2,1-3H3
InChIKeyCQXCIRSMZOFDAW-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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[(4aR,6S)-3,4a-dimethyl-2-oxo-4,5,6,7-tetrahydrobenzo[f][1]benzofuran-6-yl] acetate
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(4aS,8aR)-3,8a-dimethyl-5-methylidene-4a,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
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3,8a-dimethyl-5-methylidene-4a,6-dihydro-4H-benzo[f][1]benzofuran-2-one
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CID 101911211
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Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one?
The IUPAC name of 3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one (CID 11171951) is 3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one.
What is the SMILES notation for 3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one?
The canonical SMILES for 3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one is CC1=C2CC3=CCC(C)(C)CC3=C2OC1=O.
What is the InChIKey of 3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one?
The InChIKey is CQXCIRSMZOFDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2/c1-8-10-6-9-4-5-14(2,3)7-11(9)12(10)16-13(8)15/h4H,5-7H2,1-3H3.
What are the key properties of 3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one?
3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one has a molecular weight of 216.28 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethyl-6,8-dihydro-4H-indeno[1,2-b]furan-2-one is sourced from PubChem (CID 11171951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).