carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone

C14H18O4 — CID 143343093

IUPACcarbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCC.CC(=O)c1ccc2c(c1)CCC2O.O=C=O
InChIInChI=1S/C11H12O2.C2H6.CO2/c1-7(12)8-2-4-10-9(6-8)3-5-11(10)13;1-2;2-1-3/h2,4,6,11,13H,3,5H2,1H3;1-2H3;
InChIKeyKDFWZNYPYLWEEB-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.31
Rot. Bonds1

About carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone

carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 143343093) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Namecarbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID143343093
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Namecarbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCC.CC(=O)c1ccc2c(c1)CCC2O.O=C=O
InChIInChI=1S/C11H12O2.C2H6.CO2/c1-7(12)8-2-4-10-9(6-8)3-5-11(10)13;1-2;2-1-3/h2,4,6,11,13H,3,5H2,1H3;1-2H3;
InChIKeyKDFWZNYPYLWEEB-UHFFFAOYSA-N
XLogP2.31
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone (CID 143343093) is carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone is CC.CC(=O)c1ccc2c(c1)CCC2O.O=C=O.
What is the InChIKey of carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is KDFWZNYPYLWEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C2H6.CO2/c1-7(12)8-2-4-10-9(6-8)3-5-11(10)13;1-2;2-1-3/h2,4,6,11,13H,3,5H2,1H3;1-2H3;.
What are the key properties of carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone?
carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 250.29 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;ethane;1-(1-hydroxy-2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 143343093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).