prop-2-enoic acid;triethylsilane

C9H20O2Si — CID 175005870

IUPACprop-2-enoic acid;triethylsilane
SMILESC=CC(=O)O.CC[SiH](CC)CC
InChIInChI=1S/C6H16Si.C3H4O2/c1-4-7(5-2)6-3;1-2-3(4)5/h7H,4-6H2,1-3H3;2H,1H2,(H,4,5)
InChIKeyNVETUFGRRMCDQE-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.53
Rot. Bonds4

About prop-2-enoic acid;triethylsilane

prop-2-enoic acid;triethylsilane (PubChem CID 175005870) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is prop-2-enoic acid;triethylsilane.

Molecular Properties

Compound Nameprop-2-enoic acid;triethylsilane
PubChem CID175005870
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Nameprop-2-enoic acid;triethylsilane
SMILESC=CC(=O)O.CC[SiH](CC)CC
InChIInChI=1S/C6H16Si.C3H4O2/c1-4-7(5-2)6-3;1-2-3(4)5/h7H,4-6H2,1-3H3;2H,1H2,(H,4,5)
InChIKeyNVETUFGRRMCDQE-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanol;prop-2-enoic acid
CID 159350313
methanol;prop-2-enoic acid
CID 159043362
propan-1-ol;tetrakis(prop-2-enoic acid)
CID 158521080
butan-1-ol;prop-2-enoic acid
CID 18402454
CID 173373039
CID 173373039
bis(propane-1,1,1-triol);tris(prop-2-enoic acid)
CID 160840760
N-methylethanamine;prop-2-enoic acid
CID 87363958
heptadecane;prop-2-enoic acid
CID 158681422
icosane;nonadecane;bis(prop-2-enoic acid)
CID 173305512
2,2-dimethylbutane;tris(prop-2-enoic acid)
CID 86744534
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844

Frequently Asked Questions

What is the IUPAC name of prop-2-enoic acid;triethylsilane?
The IUPAC name of prop-2-enoic acid;triethylsilane (CID 175005870) is prop-2-enoic acid;triethylsilane.
What is the SMILES notation for prop-2-enoic acid;triethylsilane?
The canonical SMILES for prop-2-enoic acid;triethylsilane is C=CC(=O)O.CC[SiH](CC)CC.
What is the InChIKey of prop-2-enoic acid;triethylsilane?
The InChIKey is NVETUFGRRMCDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16Si.C3H4O2/c1-4-7(5-2)6-3;1-2-3(4)5/h7H,4-6H2,1-3H3;2H,1H2,(H,4,5).
What are the key properties of prop-2-enoic acid;triethylsilane?
prop-2-enoic acid;triethylsilane has a molecular weight of 188.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoic acid;triethylsilane is sourced from PubChem (CID 175005870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).