1-silylprop-2-enyl prop-2-enoate

C6H10O2Si — CID 173000207

IUPAC1-silylprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OC([SiH3])C=C
InChIInChI=1S/C6H10O2Si/c1-3-5(7)8-6(9)4-2/h3-4,6H,1-2H2,9H3
InChIKeyCLDRZFWURXETGD-UHFFFAOYSA-N
MW142.23 g/mol
LogP-0.41
Rot. Bonds3

About 1-silylprop-2-enyl prop-2-enoate

1-silylprop-2-enyl prop-2-enoate (PubChem CID 173000207) has the molecular formula C6H10O2Si and a molecular weight of 142.23 g/mol. Its IUPAC name is 1-silylprop-2-enyl prop-2-enoate.

Molecular Properties

Compound Name1-silylprop-2-enyl prop-2-enoate
PubChem CID173000207
Molecular FormulaC6H10O2Si
Molecular Weight142.23 g/mol
Exact Mass142.05
IUPAC Name1-silylprop-2-enyl prop-2-enoate
SMILESC=CC(=O)OC([SiH3])C=C
InChIInChI=1S/C6H10O2Si/c1-3-5(7)8-6(9)4-2/h3-4,6H,1-2H2,9H3
InChIKeyCLDRZFWURXETGD-UHFFFAOYSA-N
XLogP-0.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
1-fluoroprop-2-enyl prop-2-enoate
CID 87065178
1-(1-prop-2-enoyloxyethoxy)ethyl prop-2-enoate
CID 18008699
1-(dimethylamino)prop-2-enyl prop-2-enoate
CID 87262615
4,4-dimethylpent-1-en-3-yl prop-2-enoate
CID 10749625
1,2,3-trifluoroprop-2-enyl prop-2-enoate
CID 173408929
(1-hydroxy-2-methylpropyl) prop-2-enoate
CID 23103213
(2-amino-1-hydroxy-2-oxoethyl) prop-2-enoate
CID 87299763
1-dimethylarsanylethyl prop-2-enoate
CID 87979584
hepta-1,6-dien-3-yl prop-2-enoate
CID 15319642
[(1S)-1-hydroxypropyl] prop-2-enoate
CID 88739010
3,4-dimethylpent-3-en-2-yl prop-2-enoate
CID 175606841

Frequently Asked Questions

What is the IUPAC name of 1-silylprop-2-enyl prop-2-enoate?
The IUPAC name of 1-silylprop-2-enyl prop-2-enoate (CID 173000207) is 1-silylprop-2-enyl prop-2-enoate.
What is the SMILES notation for 1-silylprop-2-enyl prop-2-enoate?
The canonical SMILES for 1-silylprop-2-enyl prop-2-enoate is C=CC(=O)OC([SiH3])C=C.
What is the InChIKey of 1-silylprop-2-enyl prop-2-enoate?
The InChIKey is CLDRZFWURXETGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2Si/c1-3-5(7)8-6(9)4-2/h3-4,6H,1-2H2,9H3.
What are the key properties of 1-silylprop-2-enyl prop-2-enoate?
1-silylprop-2-enyl prop-2-enoate has a molecular weight of 142.23 g/mol, XLogP of -0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-silylprop-2-enyl prop-2-enoate is sourced from PubChem (CID 173000207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).