3-but-2-enoxypropyl-dimethoxy-methylsilane

C10H22O3Si — CID 141068326

IUPAC3-but-2-enoxypropyl-dimethoxy-methylsilane
SMILESCC=CCOCCC[Si](C)(OC)OC
InChIInChI=1S/C10H22O3Si/c1-5-6-8-13-9-7-10-14(4,11-2)12-3/h5-6H,7-10H2,1-4H3
InChIKeyCTNLGHVBVCLYKV-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.33
Rot. Bonds8

About 3-but-2-enoxypropyl-dimethoxy-methylsilane

3-but-2-enoxypropyl-dimethoxy-methylsilane (PubChem CID 141068326) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 3-but-2-enoxypropyl-dimethoxy-methylsilane.

Molecular Properties

Compound Name3-but-2-enoxypropyl-dimethoxy-methylsilane
PubChem CID141068326
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name3-but-2-enoxypropyl-dimethoxy-methylsilane
SMILESCC=CCOCCC[Si](C)(OC)OC
InChIInChI=1S/C10H22O3Si/c1-5-6-8-13-9-7-10-14(4,11-2)12-3/h5-6H,7-10H2,1-4H3
InChIKeyCTNLGHVBVCLYKV-UHFFFAOYSA-N
XLogP2.33
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-Diisopropyl-4,7-dihydro-1,3,2-dioxasilepine
CID 12793734
Trimethyl(2-prop-2-enoxyethyl)silane
CID 13497292
Silane, trimethyl[2-(2-propenyloxy)ethoxy]-
CID 22401821
(3-Allyloxypropyl)triethoxysilane
CID 53711324
Silane, dimethyldi(but-2-enyloxy)-
CID 91697224
tert-butyl-[(Z)-4-methoxybut-2-enoxy]-dimethylsilane
CID 9991127
triethyl-[(E)-3-prop-2-enoxyprop-1-enyl]silane
CID 11252842
[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl] acetate
CID 11322519
tert-butyl-dimethyl-[(E)-8-prop-2-enoxyoct-6-en-4-ynoxy]silane
CID 11346938
triethoxy-[(E)-3-ethoxyprop-1-enyl]silane
CID 12980545
2,5-Dihydrofuran-3-yl(triethyl)silane
CID 13162566
tert-butyl-dimethyl-[(Z)-4-(methylsulfanylmethoxy)but-2-enoxy]silane
CID 14320962

Frequently Asked Questions

What is the IUPAC name of 3-but-2-enoxypropyl-dimethoxy-methylsilane?
The IUPAC name of 3-but-2-enoxypropyl-dimethoxy-methylsilane (CID 141068326) is 3-but-2-enoxypropyl-dimethoxy-methylsilane.
What is the SMILES notation for 3-but-2-enoxypropyl-dimethoxy-methylsilane?
The canonical SMILES for 3-but-2-enoxypropyl-dimethoxy-methylsilane is CC=CCOCCC[Si](C)(OC)OC.
What is the InChIKey of 3-but-2-enoxypropyl-dimethoxy-methylsilane?
The InChIKey is CTNLGHVBVCLYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-5-6-8-13-9-7-10-14(4,11-2)12-3/h5-6H,7-10H2,1-4H3.
What are the key properties of 3-but-2-enoxypropyl-dimethoxy-methylsilane?
3-but-2-enoxypropyl-dimethoxy-methylsilane has a molecular weight of 218.37 g/mol, XLogP of 2.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-2-enoxypropyl-dimethoxy-methylsilane is sourced from PubChem (CID 141068326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).