(1,1,2-triethoxysilinan-2-yl)methyl acetate

C14H28O5Si — CID 174525349

IUPAC(1,1,2-triethoxysilinan-2-yl)methyl acetate
SMILESCCOC1(COC(C)=O)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C14H28O5Si/c1-5-17-14(12-16-13(4)15)10-8-9-11-20(14,18-6-2)19-7-3/h5-12H2,1-4H3
InChIKeyRRHHBFDYEUFLDH-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.56
Rot. Bonds8

About (1,1,2-triethoxysilinan-2-yl)methyl acetate

(1,1,2-triethoxysilinan-2-yl)methyl acetate (PubChem CID 174525349) has the molecular formula C14H28O5Si and a molecular weight of 304.46 g/mol. Its IUPAC name is (1,1,2-triethoxysilinan-2-yl)methyl acetate.

Molecular Properties

Compound Name(1,1,2-triethoxysilinan-2-yl)methyl acetate
PubChem CID174525349
Molecular FormulaC14H28O5Si
Molecular Weight304.46 g/mol
Exact Mass304.17
IUPAC Name(1,1,2-triethoxysilinan-2-yl)methyl acetate
SMILESCCOC1(COC(C)=O)CCCC[Si]1(OCC)OCC
InChIInChI=1S/C14H28O5Si/c1-5-17-14(12-16-13(4)15)10-8-9-11-20(14,18-6-2)19-7-3/h5-12H2,1-4H3
InChIKeyRRHHBFDYEUFLDH-UHFFFAOYSA-N
XLogP2.56
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propanoic acid;1,1,2-triethoxy-2-ethylsilinane
CID 174783066
N-methylprop-2-enamide;1,1,2-triethoxy-2-ethylsilinane
CID 174864706
5-(1,1,2-triethoxysilinan-2-yl)pentane-1,3-diamine
CID 174522138
1,1,2,2-tetraethoxysilinane
CID 174248265
4-methylpent-1-ene;1,1,2-triethoxy-2-ethylsilinane
CID 174706087
toluene;1,1,2-triethoxy-2-ethylsilinane
CID 174816258
phenanthrene;1,1,2-triethoxy-2-ethylsilinane
CID 174932363
[2-hydroxy-3-(propylamino)propyl] prop-2-enoate;1,1,2-triethoxy-2-ethylsilinane
CID 174964240
phenyl hypochlorite;1,1,2-triethoxy-2-ethylsilinane
CID 174609072
2-ethyl-3-[4-(1,1,2-triethoxysilinan-2-yl)butyl]oxirane
CID 174976602
2-cyclopropyl-1,1,2-triethoxysilinane
CID 174341764
pentadecakis(cyclohexane);ethyl acetate
CID 173010680

Frequently Asked Questions

What is the IUPAC name of (1,1,2-triethoxysilinan-2-yl)methyl acetate?
The IUPAC name of (1,1,2-triethoxysilinan-2-yl)methyl acetate (CID 174525349) is (1,1,2-triethoxysilinan-2-yl)methyl acetate.
What is the SMILES notation for (1,1,2-triethoxysilinan-2-yl)methyl acetate?
The canonical SMILES for (1,1,2-triethoxysilinan-2-yl)methyl acetate is CCOC1(COC(C)=O)CCCC[Si]1(OCC)OCC.
What is the InChIKey of (1,1,2-triethoxysilinan-2-yl)methyl acetate?
The InChIKey is RRHHBFDYEUFLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O5Si/c1-5-17-14(12-16-13(4)15)10-8-9-11-20(14,18-6-2)19-7-3/h5-12H2,1-4H3.
What are the key properties of (1,1,2-triethoxysilinan-2-yl)methyl acetate?
(1,1,2-triethoxysilinan-2-yl)methyl acetate has a molecular weight of 304.46 g/mol, XLogP of 2.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,2-triethoxysilinan-2-yl)methyl acetate is sourced from PubChem (CID 174525349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).