2-(2,2-diethoxyethylidene)-5-silylpentanoic acid

C11H22O4Si — CID 173276517

IUPAC2-(2,2-diethoxyethylidene)-5-silylpentanoic acid
SMILESCCOC(C=C(CCC[SiH3])C(=O)O)OCC
InChIInChI=1S/C11H22O4Si/c1-3-14-10(15-4-2)8-9(11(12)13)6-5-7-16/h8,10H,3-7H2,1-2,16H3,(H,12,13)
InChIKeyMODIKWRUVQAVKZ-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.96
Rot. Bonds9

About 2-(2,2-diethoxyethylidene)-5-silylpentanoic acid

2-(2,2-diethoxyethylidene)-5-silylpentanoic acid (PubChem CID 173276517) has the molecular formula C11H22O4Si and a molecular weight of 246.38 g/mol. Its IUPAC name is 2-(2,2-diethoxyethylidene)-5-silylpentanoic acid.

Molecular Properties

Compound Name2-(2,2-diethoxyethylidene)-5-silylpentanoic acid
PubChem CID173276517
Molecular FormulaC11H22O4Si
Molecular Weight246.38 g/mol
Exact Mass246.13
IUPAC Name2-(2,2-diethoxyethylidene)-5-silylpentanoic acid
SMILESCCOC(C=C(CCC[SiH3])C(=O)O)OCC
InChIInChI=1S/C11H22O4Si/c1-3-14-10(15-4-2)8-9(11(12)13)6-5-7-16/h8,10H,3-7H2,1-2,16H3,(H,12,13)
InChIKeyMODIKWRUVQAVKZ-UHFFFAOYSA-N
XLogP0.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,3-diethoxyprop-1-ene;prop-2-enoic acid
CID 158513220
1,1-diethoxy-3-ethylsulfanylbut-2-ene
CID 71322262
(E)-1,1-diethoxy-3-ethylsulfanylbut-2-ene
CID 13173023
6-hydroxy-2-(2-methylpropylidene)hexanoic acid
CID 54328583
(4S)-4-amino-2-butyl-5-methylhex-2-enoic acid;hydrochloride
CID 173220957
2-butyl-4-methyl-5-methylidenehex-2-enedioic acid
CID 87072753
2-(ethoxymethylidene)heptanoic acid
CID 173058397
2-(hydroxymethylidene)hexanoic acid
CID 87593168
(3Z)-3-(2,2-dimethoxyethylidene)heptan-2-one
CID 87458254
dibutyltin;2,3-diethoxybutanedioic acid
CID 159171014
carbonic acid;1,1-diethoxyethane
CID 87827362
(2Z)-2-(hydroxymethylidene)heptanoic acid
CID 23213326

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethylidene)-5-silylpentanoic acid?
The IUPAC name of 2-(2,2-diethoxyethylidene)-5-silylpentanoic acid (CID 173276517) is 2-(2,2-diethoxyethylidene)-5-silylpentanoic acid.
What is the SMILES notation for 2-(2,2-diethoxyethylidene)-5-silylpentanoic acid?
The canonical SMILES for 2-(2,2-diethoxyethylidene)-5-silylpentanoic acid is CCOC(C=C(CCC[SiH3])C(=O)O)OCC.
What is the InChIKey of 2-(2,2-diethoxyethylidene)-5-silylpentanoic acid?
The InChIKey is MODIKWRUVQAVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4Si/c1-3-14-10(15-4-2)8-9(11(12)13)6-5-7-16/h8,10H,3-7H2,1-2,16H3,(H,12,13).
What are the key properties of 2-(2,2-diethoxyethylidene)-5-silylpentanoic acid?
2-(2,2-diethoxyethylidene)-5-silylpentanoic acid has a molecular weight of 246.38 g/mol, XLogP of 0.96, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethylidene)-5-silylpentanoic acid is sourced from PubChem (CID 173276517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).