2,2-dimethyl-3H-chromen-4-one;ethane

C15H24O2 — CID 90690524

IUPAC2,2-dimethyl-3H-chromen-4-one;ethane
SMILESCC.CC.CC1(C)CC(=O)c2ccccc2O1
InChIInChI=1S/C11H12O2.2C2H6/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11;2*1-2/h3-6H,7H2,1-2H3;2*1-2H3
InChIKeyJDLKIJVTZHBQSL-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.48
Rot. Bonds

About 2,2-dimethyl-3H-chromen-4-one;ethane

2,2-dimethyl-3H-chromen-4-one;ethane (PubChem CID 90690524) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2,2-dimethyl-3H-chromen-4-one;ethane.

Molecular Properties

Compound Name2,2-dimethyl-3H-chromen-4-one;ethane
PubChem CID90690524
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2,2-dimethyl-3H-chromen-4-one;ethane
SMILESCC.CC.CC1(C)CC(=O)c2ccccc2O1
InChIInChI=1S/C11H12O2.2C2H6/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11;2*1-2/h3-6H,7H2,1-2H3;2*1-2H3
InChIKeyJDLKIJVTZHBQSL-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(hydroxymethyl)-2-methyl-3H-chromen-4-one
CID 121218657
5,5-dimethyl-2,6-dihydro-1H-4-benzoxonine-3,7-dione
CID 600886
2',2'-dimethylspiro[3H-chromene-2,4'-oxane]-4-one
CID 114671404
(2R)-2-(dimethoxymethyl)-2-methyl-3H-chromen-4-one
CID 124578802
7-(benzenesulfinyl)-2,2-dimethyl-3H-chromen-4-one
CID 143248180
5-methoxy-2,2-dimethyl-3H-chromen-4-one
CID 11790374
1'-methylspiro[3H-chromene-2,4'-piperidin-1-ium]-4-one
CID 7219629
2-(cyclobutylmethyl)-2-methyl-3H-chromen-4-one
CID 114671506
5,5-dimethyl-6H-dioxeto[3,4-g]chromen-7-one
CID 88638845
8-ethyl-2,2-dimethyl-3H-chromen-4-one
CID 64698496
methyl (2S)-2-hydroxy-4-oxo-3H-chromene-2-carboxylate
CID 7443223
2-methylspiro[2,3,3a,4,6,6a-hexahydro-1H-pentalene-5,2'-3H-chromene]-4'-one
CID 18723438

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3H-chromen-4-one;ethane?
The IUPAC name of 2,2-dimethyl-3H-chromen-4-one;ethane (CID 90690524) is 2,2-dimethyl-3H-chromen-4-one;ethane.
What is the SMILES notation for 2,2-dimethyl-3H-chromen-4-one;ethane?
The canonical SMILES for 2,2-dimethyl-3H-chromen-4-one;ethane is CC.CC.CC1(C)CC(=O)c2ccccc2O1.
What is the InChIKey of 2,2-dimethyl-3H-chromen-4-one;ethane?
The InChIKey is JDLKIJVTZHBQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.2C2H6/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11;2*1-2/h3-6H,7H2,1-2H3;2*1-2H3.
What are the key properties of 2,2-dimethyl-3H-chromen-4-one;ethane?
2,2-dimethyl-3H-chromen-4-one;ethane has a molecular weight of 236.35 g/mol, XLogP of 4.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3H-chromen-4-one;ethane is sourced from PubChem (CID 90690524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).