bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate

C13H30O6Si4 — CID 173377399

IUPACbis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCCC[SiH2]O[SiH2]C)C(=O)OCCC[SiH2]O[SiH2]C
InChIInChI=1S/C13H30O6Si4/c1-11(13(15)17-7-5-9-23-19-21-3)10-12(14)16-6-4-8-22-18-20-2/h1,4-10,20-23H2,2-3H3
InChIKeyPODIVARWKVYSRY-UHFFFAOYSA-N
MW394.72 g/mol
LogP-0.90
Rot. Bonds15

About bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate

bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate (PubChem CID 173377399) has the molecular formula C13H30O6Si4 and a molecular weight of 394.72 g/mol. Its IUPAC name is bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate.

Molecular Properties

Compound Namebis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate
PubChem CID173377399
Molecular FormulaC13H30O6Si4
Molecular Weight394.72 g/mol
Exact Mass394.11
IUPAC Namebis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate
SMILESC=C(CC(=O)OCCC[SiH2]O[SiH2]C)C(=O)OCCC[SiH2]O[SiH2]C
InChIInChI=1S/C13H30O6Si4/c1-11(13(15)17-7-5-9-23-19-21-3)10-12(14)16-6-4-8-22-18-20-2/h1,4-10,20-23H2,2-3H3
InChIKeyPODIVARWKVYSRY-UHFFFAOYSA-N
XLogP-0.90
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.72
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dipentyl 2-methylidenebutanedioate
CID 18618577
dioctacosyl 2-methylidenebutanedioate
CID 175314352
4-O-hexyl 1-O-octyl 2-methylidenebutanedioate
CID 174828394
dinonyl 2-methylidenebutanedioate
CID 18618584
4-O-(2-hydroxyethyl) 1-O-pentyl 2-methylidenebutanedioate
CID 159609621
bis(7-methyloctyl) 2-methylidenebutanedioate
CID 89414973
bis(2-sulfanylethyl) 2-methylidenebutanedioate
CID 54397703
bis(2-prop-1-enoxyethyl) 2-methylidenebutanedioate
CID 87920917
bis(octadec-9-enyl) 2-methylidenebutanedioate
CID 54504227
dioctyl 2-methylidenebutanedioate;2-methylbuta-1,3-diene
CID 174651213
dibutyl 2-methylidenebutanedioate;diethyl decanedioate
CID 158717623
bis[3-bis(trimethylsilyloxy)silylpropyl] 2-methylidenebutanedioate
CID 173466143

Frequently Asked Questions

What is the IUPAC name of bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate?
The IUPAC name of bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate (CID 173377399) is bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate.
What is the SMILES notation for bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate?
The canonical SMILES for bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate is C=C(CC(=O)OCCC[SiH2]O[SiH2]C)C(=O)OCCC[SiH2]O[SiH2]C.
What is the InChIKey of bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate?
The InChIKey is PODIVARWKVYSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O6Si4/c1-11(13(15)17-7-5-9-23-19-21-3)10-12(14)16-6-4-8-22-18-20-2/h1,4-10,20-23H2,2-3H3.
What are the key properties of bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate?
bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate has a molecular weight of 394.72 g/mol, XLogP of -0.90, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylsilyloxysilylpropyl) 2-methylidenebutanedioate is sourced from PubChem (CID 173377399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).