(1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate

C15H28O5Si — CID 174267912

IUPAC(1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate
SMILESCC=CC(=O)OC1CCC[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C15H28O5Si/c1-6-9-14(16)20-13-10-8-12-21(18-4,19-5)15(13,17-3)11-7-2/h6,9,13H,7-8,10-12H2,1-5H3
InChIKeyRTBKIYLJQZHDHD-UHFFFAOYSA-N
MW316.47 g/mol
LogP2.73
Rot. Bonds7

About (1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate

(1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate (PubChem CID 174267912) has the molecular formula C15H28O5Si and a molecular weight of 316.47 g/mol. Its IUPAC name is (1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate.

Molecular Properties

Compound Name(1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate
PubChem CID174267912
Molecular FormulaC15H28O5Si
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name(1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate
SMILESCC=CC(=O)OC1CCC[Si](OC)(OC)C1(CCC)OC
InChIInChI=1S/C15H28O5Si/c1-6-9-14(16)20-13-10-8-12-21(18-4,19-5)15(13,17-3)11-7-2/h6,9,13H,7-8,10-12H2,1-5H3
InChIKeyRTBKIYLJQZHDHD-UHFFFAOYSA-N
XLogP2.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 52.73
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

1,1,2-trimethoxy-3-[(2-methylpropan-2-yl)oxy]-2-propylsilinane
CID 174791973
3-methyloxetane;1,1,2,3-tetramethoxy-2-propylsilinane
CID 174747798
3-fluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174485939
3-(1,1,2-trimethoxy-2-propylsilinan-3-yl)oxetane
CID 174604447
but-2-enamide;1,1,2-trimethoxy-2-propylsilinane
CID 174413955
1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)pyrrole
CID 174594008
1,1,2-trimethoxy-N,N-dioctyl-2-propylsilinan-3-amine
CID 174751630
2-[1-(1,1,2-trimethoxy-2-propylsilinan-3-yl)propoxymethyl]oxirane
CID 174280958
3-(3-ethyl-1,1,2-trimethoxysilinan-2-yl)propan-1-amine
CID 174818677
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557
N-(3-phenylprop-2-enyl)-N'-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,2-diamine
CID 174750677
oxetan-2-yl but-2-enoate
CID 69218762

Frequently Asked Questions

What is the IUPAC name of (1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate?
The IUPAC name of (1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate (CID 174267912) is (1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate.
What is the SMILES notation for (1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate?
The canonical SMILES for (1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate is CC=CC(=O)OC1CCC[Si](OC)(OC)C1(CCC)OC.
What is the InChIKey of (1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate?
The InChIKey is RTBKIYLJQZHDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O5Si/c1-6-9-14(16)20-13-10-8-12-21(18-4,19-5)15(13,17-3)11-7-2/h6,9,13H,7-8,10-12H2,1-5H3.
What are the key properties of (1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate?
(1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate has a molecular weight of 316.47 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2-trimethoxy-2-propylsilinan-3-yl) but-2-enoate is sourced from PubChem (CID 174267912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).