ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium

C18H30O3Y — CID 155703706

IUPACethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium
SMILESCC.CC(C)C.CO.O=C1CCc2cc(/C=C\O)ccc21.[Y]
InChIInChI=1S/C11H10O2.C4H10.C2H6.CH4O.Y/c12-6-5-8-1-3-10-9(7-8)2-4-11(10)13;1-4(2)3;2*1-2;/h1,3,5-7,12H,2,4H2;4H,1-3H3;1-2H3;2H,1H3;/b6-5-;;;;
InChIKeyGJNSVGSIFVFRCH-YGGCHVFLSA-N
MW383.34 g/mol
LogP4.64
Rot. Bonds1

About ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium

ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium (PubChem CID 155703706) has the molecular formula C18H30O3Y and a molecular weight of 383.34 g/mol. Its IUPAC name is ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium.

Molecular Properties

Compound Nameethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium
PubChem CID155703706
Molecular FormulaC18H30O3Y
Molecular Weight383.34 g/mol
Exact Mass383.13
IUPAC Nameethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium
SMILESCC.CC(C)C.CO.O=C1CCc2cc(/C=C\O)ccc21.[Y]
InChIInChI=1S/C11H10O2.C4H10.C2H6.CH4O.Y/c12-6-5-8-1-3-10-9(7-8)2-4-11(10)13;1-4(2)3;2*1-2;/h1,3,5-7,12H,2,4H2;4H,1-3H3;1-2H3;2H,1H3;/b6-5-;;;;
InChIKeyGJNSVGSIFVFRCH-YGGCHVFLSA-N
XLogP4.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.34
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-(1-oxo-2,3-dihydroinden-5-yl)prop-2-enoic acid
CID 67045099
5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one
CID 169461900
5-nitroso-2,3-dihydroinden-1-one
CID 148830784
(E)-2-(2,3-dihydro-1-benzofuran-5-yl)ethenol
CID 90352085
5-bromo-2,3-dihydroinden-1-one
CID 161015201
6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one
CID 170476722
6-acetyl-3,4-dihydro-2H-naphthalen-1-one
CID 54156435
5-(1-methoxypropan-2-yloxy)-2,3-dihydroinden-1-one
CID 104982128
5-[(3E,5Z)-octa-3,5,7-trien-4-yl]-2,3-dihydroinden-1-one
CID 142267790
2-[2-[(1-oxo-2,3-dihydroinden-5-yl)oxy]ethoxy]ethyl acetate
CID 171068203
6-[4-(2-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one
CID 139329781
2-(1-oxo-2,3-dihydroinden-5-yl)ethanethioic S-acid
CID 57468297

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium?
The IUPAC name of ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium (CID 155703706) is ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium.
What is the SMILES notation for ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium?
The canonical SMILES for ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium is CC.CC(C)C.CO.O=C1CCc2cc(/C=C\O)ccc21.[Y].
What is the InChIKey of ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium?
The InChIKey is GJNSVGSIFVFRCH-YGGCHVFLSA-N. The full InChI is InChI=1S/C11H10O2.C4H10.C2H6.CH4O.Y/c12-6-5-8-1-3-10-9(7-8)2-4-11(10)13;1-4(2)3;2*1-2;/h1,3,5-7,12H,2,4H2;4H,1-3H3;1-2H3;2H,1H3;/b6-5-;;;;.
What are the key properties of ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium?
ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium has a molecular weight of 383.34 g/mol, XLogP of 4.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(Z)-2-hydroxyethenyl]-2,3-dihydroinden-1-one;methanol;2-methylpropane;yttrium is sourced from PubChem (CID 155703706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).