magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate

C19H34MgO10 — CID 174803154

IUPACmagnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate
SMILESC=CC(=O)OC.O=C([O-])CCCCCCCCC(=O)[O-].OCC(CO)(CO)CO.[Mg+2]
InChIInChI=1S/C10H18O4.C5H12O4.C4H6O2.Mg/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;6-1-5(2-7,3-8)4-9;1-3-4(5)6-2;/h1-8H2,(H,11,12)(H,13,14);6-9H,1-4H2;3H,1H2,2H3;/q;;;+2/p-2
InChIKeyVTDWZCCCRKZNLT-UHFFFAOYSA-L
MW446.78 g/mol
LogP-2.49
Rot. Bonds14

About magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate

magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate (PubChem CID 174803154) has the molecular formula C19H34MgO10 and a molecular weight of 446.78 g/mol. Its IUPAC name is magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate.

Molecular Properties

Compound Namemagnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate
PubChem CID174803154
Molecular FormulaC19H34MgO10
Molecular Weight446.78 g/mol
Exact Mass446.20
IUPAC Namemagnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate
SMILESC=CC(=O)OC.O=C([O-])CCCCCCCCC(=O)[O-].OCC(CO)(CO)CO.[Mg+2]
InChIInChI=1S/C10H18O4.C5H12O4.C4H6O2.Mg/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;6-1-5(2-7,3-8)4-9;1-3-4(5)6-2;/h1-8H2,(H,11,12)(H,13,14);6-9H,1-4H2;3H,1H2,2H3;/q;;;+2/p-2
InChIKeyVTDWZCCCRKZNLT-UHFFFAOYSA-L
XLogP-2.49
TPSA187.48 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.78
LogP ≤ 5-2.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

copper(1+);methyl prop-2-enoate;(Z)-octadec-9-enoate
CID 174858788
hexanedioic acid;2-(hydroxymethyl)-2-methylpropane-1,3-diol;methyl prop-2-enoate
CID 174398142
sodium;methyl prop-2-enoate;prop-2-enoate
CID 174422946
magnesium;octadecanoate;prop-2-enoate
CID 22987518
2,2-bis(hydroxymethyl)propane-1,3-diol;molybdenum(4+);tetrakis((Z)-octadec-9-enoate)
CID 174960507
bis(methyl prop-2-enoate);propane
CID 160610529
formaldehyde;bis(methyl prop-2-enoate)
CID 174834920
disodium;2-methylidenebutanedioate;methyl prop-2-enoate
CID 172852156
calcium;decanedioate;prop-2-enoic acid
CID 157321777
hydrogen sulfite;methyl prop-2-enoate
CID 174688508
but-2-en-1-ol;methyl prop-2-enoate
CID 174878800
methyl prop-2-enoate;phosphoric acid
CID 174689976

Frequently Asked Questions

What is the IUPAC name of magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate?
The IUPAC name of magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate (CID 174803154) is magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate.
What is the SMILES notation for magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate?
The canonical SMILES for magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate is C=CC(=O)OC.O=C([O-])CCCCCCCCC(=O)[O-].OCC(CO)(CO)CO.[Mg+2].
What is the InChIKey of magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate?
The InChIKey is VTDWZCCCRKZNLT-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H18O4.C5H12O4.C4H6O2.Mg/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;6-1-5(2-7,3-8)4-9;1-3-4(5)6-2;/h1-8H2,(H,11,12)(H,13,14);6-9H,1-4H2;3H,1H2,2H3;/q;;;+2/p-2.
What are the key properties of magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate?
magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate has a molecular weight of 446.78 g/mol, XLogP of -2.49, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2,2-bis(hydroxymethyl)propane-1,3-diol;decanedioate;methyl prop-2-enoate is sourced from PubChem (CID 174803154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).