7,7-dimethylcyclohepta[b]pyran-2-one

C12H12O2 — CID 142330756

IUPAC7,7-dimethylcyclohepta[b]pyran-2-one
SMILESCC1(C)C=Cc2ccc(=O)oc2C=C1
InChIInChI=1S/C12H12O2/c1-12(2)7-5-9-3-4-11(13)14-10(9)6-8-12/h3-8H,1-2H3
InChIKeySQBCFEWKIDAOSM-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.71
Rot. Bonds

About 7,7-dimethylcyclohepta[b]pyran-2-one

7,7-dimethylcyclohepta[b]pyran-2-one (PubChem CID 142330756) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 7,7-dimethylcyclohepta[b]pyran-2-one.

Molecular Properties

Compound Name7,7-dimethylcyclohepta[b]pyran-2-one
PubChem CID142330756
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name7,7-dimethylcyclohepta[b]pyran-2-one
SMILESCC1(C)C=Cc2ccc(=O)oc2C=C1
InChIInChI=1S/C12H12O2/c1-12(2)7-5-9-3-4-11(13)14-10(9)6-8-12/h3-8H,1-2H3
InChIKeySQBCFEWKIDAOSM-UHFFFAOYSA-N
XLogP2.71
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethylcyclohepta[b]pyran-2-one?
The IUPAC name of 7,7-dimethylcyclohepta[b]pyran-2-one (CID 142330756) is 7,7-dimethylcyclohepta[b]pyran-2-one.
What is the SMILES notation for 7,7-dimethylcyclohepta[b]pyran-2-one?
The canonical SMILES for 7,7-dimethylcyclohepta[b]pyran-2-one is CC1(C)C=Cc2ccc(=O)oc2C=C1.
What is the InChIKey of 7,7-dimethylcyclohepta[b]pyran-2-one?
The InChIKey is SQBCFEWKIDAOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-12(2)7-5-9-3-4-11(13)14-10(9)6-8-12/h3-8H,1-2H3.
What are the key properties of 7,7-dimethylcyclohepta[b]pyran-2-one?
7,7-dimethylcyclohepta[b]pyran-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethylcyclohepta[b]pyran-2-one is sourced from PubChem (CID 142330756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).