methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane

C15H30O5Si — CID 175374557

IUPACmethyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
SMILESC=CC(=O)OC.CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C11H24O3Si.C4H6O2/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-3-4(5)6-2/h5-10H2,1-4H3;3H,1H2,2H3
InChIKeyZTUSMHXVAODQRX-UHFFFAOYSA-N
MW318.49 g/mol
LogP2.98
Rot. Bonds6

About methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane

methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane (PubChem CID 175374557) has the molecular formula C15H30O5Si and a molecular weight of 318.49 g/mol. Its IUPAC name is methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane.

Molecular Properties

Compound Namemethyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
PubChem CID175374557
Molecular FormulaC15H30O5Si
Molecular Weight318.49 g/mol
Exact Mass318.19
IUPAC Namemethyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
SMILESC=CC(=O)OC.CCCC1(OC)CCCC[Si]1(OC)OC
InChIInChI=1S/C11H24O3Si.C4H6O2/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-3-4(5)6-2/h5-10H2,1-4H3;3H,1H2,2H3
InChIKeyZTUSMHXVAODQRX-UHFFFAOYSA-N
XLogP2.98
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
CID 174790956
but-2-enamide;1,1,2-trimethoxy-2-propylsilinane
CID 174413955
tetraethyl silicate;3-(1,1,2-trimethoxysilinan-2-yl)propyl prop-2-enoate
CID 175262529
1-prop-1-enylsulfanylprop-1-ene;1,1,2-trimethoxy-2-propylsilinane
CID 174905238
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
[2-hydroxy-3-(4-triethoxysilylbutanoylamino)propyl] prop-2-enoate;4-triethoxysilylbutan-1-amine;1,1,2-trimethoxy-2-propylsilinane
CID 175297530
3-(1,1,2-trimethoxysilinan-2-yl)propan-1-ol
CID 174434507
1H-imidazole;1,1,2-trimethoxy-2-propylsilinane
CID 174851969
2-methyl-6-(1,1,2-trimethoxysilinan-2-yl)hex-1-en-3-one
CID 174413287
2-(oxiran-2-ylmethoxymethyl)oxirane;1,1,2-trimethoxy-2-propylsilinane
CID 174317269
N-[3-(1,1,2-trimethoxysilinan-2-yl)propyl]pentan-1-amine
CID 175279525

Frequently Asked Questions

What is the IUPAC name of methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane?
The IUPAC name of methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane (CID 175374557) is methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane.
What is the SMILES notation for methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane?
The canonical SMILES for methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane is C=CC(=O)OC.CCCC1(OC)CCCC[Si]1(OC)OC.
What is the InChIKey of methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane?
The InChIKey is ZTUSMHXVAODQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si.C4H6O2/c1-5-8-11(12-2)9-6-7-10-15(11,13-3)14-4;1-3-4(5)6-2/h5-10H2,1-4H3;3H,1H2,2H3.
What are the key properties of methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane?
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane has a molecular weight of 318.49 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane is sourced from PubChem (CID 175374557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).