2-dimethylsilyloxybut-3-enoic acid

C6H12O3Si — CID 154503228

IUPAC2-dimethylsilyloxybut-3-enoic acid
SMILESC=CC(O[SiH](C)C)C(=O)O
InChIInChI=1S/C6H12O3Si/c1-4-5(6(7)8)9-10(2)3/h4-5,10H,1H2,2-3H3,(H,7,8)
InChIKeyDETLQEPLHPWBER-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.63
Rot. Bonds4

About 2-dimethylsilyloxybut-3-enoic acid

2-dimethylsilyloxybut-3-enoic acid (PubChem CID 154503228) has the molecular formula C6H12O3Si and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-dimethylsilyloxybut-3-enoic acid.

Molecular Properties

Compound Name2-dimethylsilyloxybut-3-enoic acid
PubChem CID154503228
Molecular FormulaC6H12O3Si
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name2-dimethylsilyloxybut-3-enoic acid
SMILESC=CC(O[SiH](C)C)C(=O)O
InChIInChI=1S/C6H12O3Si/c1-4-5(6(7)8)9-10(2)3/h4-5,10H,1H2,2-3H3,(H,7,8)
InChIKeyDETLQEPLHPWBER-UHFFFAOYSA-N
XLogP0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxybut-3-enoic acid
CID 14067221
2-(1-hydroxyprop-2-enoxy)but-3-enoic acid
CID 87617356
bis(1-carboxyprop-2-enoxy)-oxophosphanium
CID 87520434
2-dimethylsilylbut-3-enoic acid
CID 151998152
4-dimethylsilyloxy-5,5-dimethylhex-1-en-3-one
CID 173343952
dimethyl(silyloxy)silane;prop-2-enoic acid
CID 173073282
1-carboxyprop-2-enyl(trimethyl)azanium
CID 22239387
2-methoxypent-3-enoic acid
CID 131268395
2-methyl-4-(5-methyl-4-oxohexa-1,5-dien-3-yl)oxyhexa-1,5-dien-3-one
CID 88747300
2-(1-dimethylsilylprop-2-enoxy)acetic acid
CID 154102960
CID 89169659
CID 89169659
2-[(2R)-but-3-en-2-yl]propanedioic acid
CID 87149049

Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyloxybut-3-enoic acid?
The IUPAC name of 2-dimethylsilyloxybut-3-enoic acid (CID 154503228) is 2-dimethylsilyloxybut-3-enoic acid.
What is the SMILES notation for 2-dimethylsilyloxybut-3-enoic acid?
The canonical SMILES for 2-dimethylsilyloxybut-3-enoic acid is C=CC(O[SiH](C)C)C(=O)O.
What is the InChIKey of 2-dimethylsilyloxybut-3-enoic acid?
The InChIKey is DETLQEPLHPWBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3Si/c1-4-5(6(7)8)9-10(2)3/h4-5,10H,1H2,2-3H3,(H,7,8).
What are the key properties of 2-dimethylsilyloxybut-3-enoic acid?
2-dimethylsilyloxybut-3-enoic acid has a molecular weight of 160.24 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyloxybut-3-enoic acid is sourced from PubChem (CID 154503228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).