4,5,7,8-tetramethylcyclohepta[b]furan-2-one

C13H14O2 — CID 15486675

IUPAC4,5,7,8-tetramethylcyclohepta[b]furan-2-one
SMILESCc1cc(C)c(C)c2oc(=O)cc-2c1C
InChIInChI=1S/C13H14O2/c1-7-5-8(2)10(4)13-11(9(7)3)6-12(14)15-13/h5-6H,1-4H3
InChIKeyAABVRBZAHNMHJJ-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.98
Rot. Bonds

About 4,5,7,8-tetramethylcyclohepta[b]furan-2-one

4,5,7,8-tetramethylcyclohepta[b]furan-2-one (PubChem CID 15486675) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4,5,7,8-tetramethylcyclohepta[b]furan-2-one.

Molecular Properties

Compound Name4,5,7,8-tetramethylcyclohepta[b]furan-2-one
PubChem CID15486675
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name4,5,7,8-tetramethylcyclohepta[b]furan-2-one
SMILESCc1cc(C)c(C)c2oc(=O)cc-2c1C
InChIInChI=1S/C13H14O2/c1-7-5-8(2)10(4)13-11(9(7)3)6-12(14)15-13/h5-6H,1-4H3
InChIKeyAABVRBZAHNMHJJ-UHFFFAOYSA-N
XLogP2.98
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5,7,8-tetramethylcyclohepta[b]furan-2-one?
The IUPAC name of 4,5,7,8-tetramethylcyclohepta[b]furan-2-one (CID 15486675) is 4,5,7,8-tetramethylcyclohepta[b]furan-2-one.
What is the SMILES notation for 4,5,7,8-tetramethylcyclohepta[b]furan-2-one?
The canonical SMILES for 4,5,7,8-tetramethylcyclohepta[b]furan-2-one is Cc1cc(C)c(C)c2oc(=O)cc-2c1C.
What is the InChIKey of 4,5,7,8-tetramethylcyclohepta[b]furan-2-one?
The InChIKey is AABVRBZAHNMHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-7-5-8(2)10(4)13-11(9(7)3)6-12(14)15-13/h5-6H,1-4H3.
What are the key properties of 4,5,7,8-tetramethylcyclohepta[b]furan-2-one?
4,5,7,8-tetramethylcyclohepta[b]furan-2-one has a molecular weight of 202.25 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7,8-tetramethylcyclohepta[b]furan-2-one is sourced from PubChem (CID 15486675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).