strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione

C8H12O3Sr — CID 175234836

IUPACstrontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione
SMILESCC(C)C=C1CC(=O)OC1=O.[H-].[H-].[Sr+2]
InChIInChI=1S/C8H10O3.Sr.2H/c1-5(2)3-6-4-7(9)11-8(6)10;;;/h3,5H,4H2,1-2H3;;;/q;+2;2*-1
InChIKeyLBQHRRKDXMCNNM-UHFFFAOYSA-N
MW243.80 g/mol
LogP0.89
Rot. Bonds1

About strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione

strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione (PubChem CID 175234836) has the molecular formula C8H12O3Sr and a molecular weight of 243.80 g/mol. Its IUPAC name is strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione.

Molecular Properties

Compound Namestrontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione
PubChem CID175234836
Molecular FormulaC8H12O3Sr
Molecular Weight243.80 g/mol
Exact Mass243.98
IUPAC Namestrontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione
SMILESCC(C)C=C1CC(=O)OC1=O.[H-].[H-].[Sr+2]
InChIInChI=1S/C8H10O3.Sr.2H/c1-5(2)3-6-4-7(9)11-8(6)10;;;/h3,5H,4H2,1-2H3;;;/q;+2;2*-1
InChIKeyLBQHRRKDXMCNNM-UHFFFAOYSA-N
XLogP0.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

lithium;3-ethylideneoxolane-2,5-dione;hydride
CID 175434916
3-(bromomethylidene)oxolane-2,5-dione
CID 54107095
3-hexylideneoxolane-2,5-dione
CID 153403975
3-octylideneoxolane-2,5-dione
CID 90776314
3-(2,4-dioxooxetan-3-ylidene)oxolane-2,5-dione
CID 163923906
(3E)-3-[(2-fluorophenyl)methylidene]oxolane-2,5-dione
CID 82158362
3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione
CID 123467894
4-methyl-5-(2-methylpropyl)-3H-furan-2-one
CID 58496929
3-(2-methylpropylidene)-2-oxopiperidine-1-carboxylic acid
CID 118679051
2-(2-methylpropylidene)-1,4-dioxaspiro[4.5]decan-3-one
CID 86108964
(3Z)-3-(3,3,5,6,6-pentamethylheptan-2-ylidene)oxolane-2,5-dione
CID 123278351
(2R,5Z,6R)-2-tert-butyl-6-methyl-5-(2-methylpropylidene)-1,3-dioxan-4-one
CID 100924143

Frequently Asked Questions

What is the IUPAC name of strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione?
The IUPAC name of strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione (CID 175234836) is strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione.
What is the SMILES notation for strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione?
The canonical SMILES for strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione is CC(C)C=C1CC(=O)OC1=O.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione?
The InChIKey is LBQHRRKDXMCNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3.Sr.2H/c1-5(2)3-6-4-7(9)11-8(6)10;;;/h3,5H,4H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione?
strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione has a molecular weight of 243.80 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;hydride;3-(2-methylpropylidene)oxolane-2,5-dione is sourced from PubChem (CID 175234836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).