(1,1-diethoxy-2-methylpropyl) triethyl silicate

C14H32O6Si — CID 175465706

IUPAC(1,1-diethoxy-2-methylpropyl) triethyl silicate
SMILESCCOC(OCC)(O[Si](OCC)(OCC)OCC)C(C)C
InChIInChI=1S/C14H32O6Si/c1-8-15-14(13(6)7,16-9-2)20-21(17-10-3,18-11-4)19-12-5/h13H,8-12H2,1-7H3
InChIKeyKAPIZKJXMVRCAQ-UHFFFAOYSA-N
MW324.49 g/mol
LogP2.93
Rot. Bonds13

About (1,1-diethoxy-2-methylpropyl) triethyl silicate

(1,1-diethoxy-2-methylpropyl) triethyl silicate (PubChem CID 175465706) has the molecular formula C14H32O6Si and a molecular weight of 324.49 g/mol. Its IUPAC name is (1,1-diethoxy-2-methylpropyl) triethyl silicate.

Molecular Properties

Compound Name(1,1-diethoxy-2-methylpropyl) triethyl silicate
PubChem CID175465706
Molecular FormulaC14H32O6Si
Molecular Weight324.49 g/mol
Exact Mass324.20
IUPAC Name(1,1-diethoxy-2-methylpropyl) triethyl silicate
SMILESCCOC(OCC)(O[Si](OCC)(OCC)OCC)C(C)C
InChIInChI=1S/C14H32O6Si/c1-8-15-14(13(6)7,16-9-2)20-21(17-10-3,18-11-4)19-12-5/h13H,8-12H2,1-7H3
InChIKeyKAPIZKJXMVRCAQ-UHFFFAOYSA-N
XLogP2.93
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (1,1-diethoxy-2-methylpropyl) triethyl silicate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[diethoxy(triethoxysilyl)methyl] triethyl silicate
CID 58810725
diethoxy-methyl-(1,1,1-triethoxypropan-2-yloxy)silane
CID 151989522
2-chloro-1,1,1-triethoxypropane
CID 152680412
(2S)-2-bromo-1,1,1-triethoxypropane
CID 6932530
1,1,1-triethoxypropan-2-ol
CID 87156976
2-bromo-1,1,1-triethoxypropane
CID 2779285
3,3-diethoxy-2,4-dimethylpentane
CID 11788732
(5-amino-1,1,2-triethoxypentan-2-yl) triethyl silicate
CID 174953555
acetaldehyde;tetraethyl silicate
CID 174865015
oxo-bis(1,1,2,2-tetraethoxyethoxy)silane
CID 20571310
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788
3-methyl-2-triethoxysilylbutan-2-amine
CID 174653209

Frequently Asked Questions

What is the IUPAC name of (1,1-diethoxy-2-methylpropyl) triethyl silicate?
The IUPAC name of (1,1-diethoxy-2-methylpropyl) triethyl silicate (CID 175465706) is (1,1-diethoxy-2-methylpropyl) triethyl silicate.
What is the SMILES notation for (1,1-diethoxy-2-methylpropyl) triethyl silicate?
The canonical SMILES for (1,1-diethoxy-2-methylpropyl) triethyl silicate is CCOC(OCC)(O[Si](OCC)(OCC)OCC)C(C)C.
What is the InChIKey of (1,1-diethoxy-2-methylpropyl) triethyl silicate?
The InChIKey is KAPIZKJXMVRCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32O6Si/c1-8-15-14(13(6)7,16-9-2)20-21(17-10-3,18-11-4)19-12-5/h13H,8-12H2,1-7H3.
What are the key properties of (1,1-diethoxy-2-methylpropyl) triethyl silicate?
(1,1-diethoxy-2-methylpropyl) triethyl silicate has a molecular weight of 324.49 g/mol, XLogP of 2.93, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-diethoxy-2-methylpropyl) triethyl silicate is sourced from PubChem (CID 175465706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).