2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid

C9H16O3Si — CID 123665309

IUPAC2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid
SMILESC=C(C(=O)O)C([SiH3])C1CCCCO1
InChIInChI=1S/C9H16O3Si/c1-6(9(10)11)8(13)7-4-2-3-5-12-7/h7-8H,1-5H2,13H3,(H,10,11)
InChIKeyTXDFDMALMSLXOT-UHFFFAOYSA-N
MW200.31 g/mol
LogP0.35
Rot. Bonds3

About 2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid

2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid (PubChem CID 123665309) has the molecular formula C9H16O3Si and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid
PubChem CID123665309
Molecular FormulaC9H16O3Si
Molecular Weight200.31 g/mol
Exact Mass200.09
IUPAC Name2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid
SMILESC=C(C(=O)O)C([SiH3])C1CCCCO1
InChIInChI=1S/C9H16O3Si/c1-6(9(10)11)8(13)7-4-2-3-5-12-7/h7-8H,1-5H2,13H3,(H,10,11)
InChIKeyTXDFDMALMSLXOT-UHFFFAOYSA-N
XLogP0.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-2-(oxan-2-yl)acetic acid
CID 105431817
3-hydroxy-2-methyl-3-(oxan-2-yl)propanoic acid
CID 67731056
bis(oxan-2-yl)methanol
CID 173021788
(2S)-2-(methoxycarbonylamino)-2-[(2S)-oxan-2-yl]acetic acid
CID 129392106
oxan-2-ylsilylformic acid
CID 123628710
5-methyl-4-(oxan-2-yl)hexan-2-one
CID 176760505
3-(oxolan-2-yl)butanoic acid
CID 3727496
(3S)-3-[(2S)-oxolan-2-yl]butanoic acid
CID 791005
(2R)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 124662505
(2S)-2-[(2R)-oxan-2-yl]propan-1-ol
CID 102227489
2-hydroxy-2-(oxolan-2-yl)acetamide
CID 82837458
2-(dimethoxymethyl)oxane
CID 101048405

Frequently Asked Questions

What is the IUPAC name of 2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid?
The IUPAC name of 2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid (CID 123665309) is 2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid.
What is the SMILES notation for 2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid?
The canonical SMILES for 2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid is C=C(C(=O)O)C([SiH3])C1CCCCO1.
What is the InChIKey of 2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid?
The InChIKey is TXDFDMALMSLXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3Si/c1-6(9(10)11)8(13)7-4-2-3-5-12-7/h7-8H,1-5H2,13H3,(H,10,11).
What are the key properties of 2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid?
2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid has a molecular weight of 200.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxan-2-yl(silyl)methyl]prop-2-enoic acid is sourced from PubChem (CID 123665309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).