2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid

C9H16O5Si — CID 173312727

IUPAC2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid
SMILESC=C([SiH2]C(OC)(OC)C(=C)OC)C(=O)O
InChIInChI=1S/C9H16O5Si/c1-6(8(10)11)15-9(13-4,14-5)7(2)12-3/h1-2,15H2,3-5H3,(H,10,11)
InChIKeyZVLGFBFYWRJKBL-UHFFFAOYSA-N
MW232.31 g/mol
LogP-0.14
Rot. Bonds7

About 2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid

2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid (PubChem CID 173312727) has the molecular formula C9H16O5Si and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid
PubChem CID173312727
Molecular FormulaC9H16O5Si
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid
SMILESC=C([SiH2]C(OC)(OC)C(=C)OC)C(=O)O
InChIInChI=1S/C9H16O5Si/c1-6(8(10)11)15-9(13-4,14-5)7(2)12-3/h1-2,15H2,3-5H3,(H,10,11)
InChIKeyZVLGFBFYWRJKBL-UHFFFAOYSA-N
XLogP-0.14
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid?
The IUPAC name of 2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid (CID 173312727) is 2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid.
What is the SMILES notation for 2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid?
The canonical SMILES for 2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid is C=C([SiH2]C(OC)(OC)C(=C)OC)C(=O)O.
What is the InChIKey of 2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid?
The InChIKey is ZVLGFBFYWRJKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5Si/c1-6(8(10)11)15-9(13-4,14-5)7(2)12-3/h1-2,15H2,3-5H3,(H,10,11).
What are the key properties of 2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid?
2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid has a molecular weight of 232.31 g/mol, XLogP of -0.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-trimethoxyprop-2-enylsilyl)prop-2-enoic acid is sourced from PubChem (CID 173312727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).