dipotassium;dimethyl 2-methylidenebutanedioate;hydride

C7H12K2O4 — CID 174338040

IUPACdipotassium;dimethyl 2-methylidenebutanedioate;hydride
SMILESC=C(CC(=O)OC)C(=O)OC.[H-].[H-].[K+].[K+]
InChIInChI=1S/C7H10O4.2K.2H/c1-5(7(9)11-3)4-6(8)10-2;;;;/h1,4H2,2-3H3;;;;/q;2*+1;2*-1
InChIKeyYHLAVHILFLWPTJ-UHFFFAOYSA-N
MW238.36 g/mol
LogP-5.49
Rot. Bonds3

About dipotassium;dimethyl 2-methylidenebutanedioate;hydride

dipotassium;dimethyl 2-methylidenebutanedioate;hydride (PubChem CID 174338040) has the molecular formula C7H12K2O4 and a molecular weight of 238.36 g/mol. Its IUPAC name is dipotassium;dimethyl 2-methylidenebutanedioate;hydride.

Molecular Properties

Compound Namedipotassium;dimethyl 2-methylidenebutanedioate;hydride
PubChem CID174338040
Molecular FormulaC7H12K2O4
Molecular Weight238.36 g/mol
Exact Mass238.00
IUPAC Namedipotassium;dimethyl 2-methylidenebutanedioate;hydride
SMILESC=C(CC(=O)OC)C(=O)OC.[H-].[H-].[K+].[K+]
InChIInChI=1S/C7H10O4.2K.2H/c1-5(7(9)11-3)4-6(8)10-2;;;;/h1,4H2,2-3H3;;;;/q;2*+1;2*-1
InChIKeyYHLAVHILFLWPTJ-UHFFFAOYSA-N
XLogP-5.49
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 5-5.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-O-amino 4-O-methyl 2-methylidenebutanedioate
CID 163455319
N',N'-bis(2-aminoethyl)ethane-1,2-diamine;dimethyl 2-methylidenebutanedioate
CID 131738461
4-O-(methoxymethyl) 1-O-methyl 2-methylidenebutanedioate
CID 23571779
4-O-ethyl 1-O-methyl 2-methylidenebutanedioate
CID 12527732
dimethyl 2-methylidene-5-oxoheptanedioate
CID 146643852
3-methoxycarbonylbut-3-enoic acid
CID 4613903
methyl 4-methyl-3-methylidenepent-4-enoate
CID 89146578
dimethyl 2-methylidenebutanedioate;styrene
CID 22357357
λ2-plumbane;4-methoxy-2-methylidene-4-oxobutanoic acid
CID 173454625
hydron;methyl 2-methylidenebutanoate
CID 174760127
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
4-O-[[3-[[3-(ethoxymethoxy)-3-oxopropanoyl]oxymethoxy]-3-oxopropanoyl]oxymethyl] 1-O-[3-[[3-[(3-methoxy-3-oxopropanoyl)oxymethoxy]-3-oxopropanoyl]oxymethoxycarbonyl]but-3-enoyloxymethyl] 2-methylidenebutanedioate
CID 166033787

Frequently Asked Questions

What is the IUPAC name of dipotassium;dimethyl 2-methylidenebutanedioate;hydride?
The IUPAC name of dipotassium;dimethyl 2-methylidenebutanedioate;hydride (CID 174338040) is dipotassium;dimethyl 2-methylidenebutanedioate;hydride.
What is the SMILES notation for dipotassium;dimethyl 2-methylidenebutanedioate;hydride?
The canonical SMILES for dipotassium;dimethyl 2-methylidenebutanedioate;hydride is C=C(CC(=O)OC)C(=O)OC.[H-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;dimethyl 2-methylidenebutanedioate;hydride?
The InChIKey is YHLAVHILFLWPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4.2K.2H/c1-5(7(9)11-3)4-6(8)10-2;;;;/h1,4H2,2-3H3;;;;/q;2*+1;2*-1.
What are the key properties of dipotassium;dimethyl 2-methylidenebutanedioate;hydride?
dipotassium;dimethyl 2-methylidenebutanedioate;hydride has a molecular weight of 238.36 g/mol, XLogP of -5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;dimethyl 2-methylidenebutanedioate;hydride is sourced from PubChem (CID 174338040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).