4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one

C11H12O2 — CID 143996276

IUPAC4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one
SMILESCC1=C2C(=O)OCC2=C(C)CC=C1
InChIInChI=1S/C11H12O2/c1-7-4-3-5-8(2)10-9(7)6-13-11(10)12/h3,5H,4,6H2,1-2H3
InChIKeyAGRKLLFJBYZUTP-UHFFFAOYSA-N
MW176.22 g/mol
LogP2.14
Rot. Bonds

About 4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one

4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one (PubChem CID 143996276) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one.

Molecular Properties

Compound Name4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one
PubChem CID143996276
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one
SMILESCC1=C2C(=O)OCC2=C(C)CC=C1
InChIInChI=1S/C11H12O2/c1-7-4-3-5-8(2)10-9(7)6-13-11(10)12/h3,5H,4,6H2,1-2H3
InChIKeyAGRKLLFJBYZUTP-UHFFFAOYSA-N
XLogP2.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one?
The IUPAC name of 4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one (CID 143996276) is 4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one.
What is the SMILES notation for 4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one?
The canonical SMILES for 4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one is CC1=C2C(=O)OCC2=C(C)CC=C1.
What is the InChIKey of 4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one?
The InChIKey is AGRKLLFJBYZUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-7-4-3-5-8(2)10-9(7)6-13-11(10)12/h3,5H,4,6H2,1-2H3.
What are the key properties of 4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one?
4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one has a molecular weight of 176.22 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-1,7-dihydrocyclohepta[c]furan-3-one is sourced from PubChem (CID 143996276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).