7,7-dimethyl-6,8-dihydro-4H-chromen-5-one

C11H14O2 — CID 68829033

IUPAC7,7-dimethyl-6,8-dihydro-4H-chromen-5-one
SMILESCC1(C)CC(=O)C2=C(C1)OC=CC2
InChIInChI=1S/C11H14O2/c1-11(2)6-9(12)8-4-3-5-13-10(8)7-11/h3,5H,4,6-7H2,1-2H3
InChIKeyWCGGBAWXCBPHAT-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.56
Rot. Bonds

About 7,7-dimethyl-6,8-dihydro-4H-chromen-5-one

7,7-dimethyl-6,8-dihydro-4H-chromen-5-one (PubChem CID 68829033) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 7,7-dimethyl-6,8-dihydro-4H-chromen-5-one.

Molecular Properties

Compound Name7,7-dimethyl-6,8-dihydro-4H-chromen-5-one
PubChem CID68829033
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name7,7-dimethyl-6,8-dihydro-4H-chromen-5-one
SMILESCC1(C)CC(=O)C2=C(C1)OC=CC2
InChIInChI=1S/C11H14O2/c1-11(2)6-9(12)8-4-3-5-13-10(8)7-11/h3,5H,4,6-7H2,1-2H3
InChIKeyWCGGBAWXCBPHAT-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6,8-dihydro-4H-chromen-5-one?
The IUPAC name of 7,7-dimethyl-6,8-dihydro-4H-chromen-5-one (CID 68829033) is 7,7-dimethyl-6,8-dihydro-4H-chromen-5-one.
What is the SMILES notation for 7,7-dimethyl-6,8-dihydro-4H-chromen-5-one?
The canonical SMILES for 7,7-dimethyl-6,8-dihydro-4H-chromen-5-one is CC1(C)CC(=O)C2=C(C1)OC=CC2.
What is the InChIKey of 7,7-dimethyl-6,8-dihydro-4H-chromen-5-one?
The InChIKey is WCGGBAWXCBPHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(2)6-9(12)8-4-3-5-13-10(8)7-11/h3,5H,4,6-7H2,1-2H3.
What are the key properties of 7,7-dimethyl-6,8-dihydro-4H-chromen-5-one?
7,7-dimethyl-6,8-dihydro-4H-chromen-5-one has a molecular weight of 178.23 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6,8-dihydro-4H-chromen-5-one is sourced from PubChem (CID 68829033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).