triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate

C11H27O7PSi — CID 174962642

IUPACtriethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate
SMILESCCOO[Si](OOCC)(OOCC)OC(C)(P)C(C)C
InChIInChI=1S/C11H27O7PSi/c1-7-12-16-20(17-13-8-2,18-14-9-3)15-11(6,19)10(4)5/h10H,7-9,19H2,1-6H3
InChIKeyIDYNLTSDDIESCS-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.59
Rot. Bonds12

About triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate

triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate (PubChem CID 174962642) has the molecular formula C11H27O7PSi and a molecular weight of 330.39 g/mol. Its IUPAC name is triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate.

Molecular Properties

Compound Nametriethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate
PubChem CID174962642
Molecular FormulaC11H27O7PSi
Molecular Weight330.39 g/mol
Exact Mass330.13
IUPAC Nametriethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate
SMILESCCOO[Si](OOCC)(OOCC)OC(C)(P)C(C)C
InChIInChI=1S/C11H27O7PSi/c1-7-12-16-20(17-13-8-2,18-14-9-3)15-11(6,19)10(4)5/h10H,7-9,19H2,1-6H3
InChIKeyIDYNLTSDDIESCS-UHFFFAOYSA-N
XLogP2.59
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

triethoxy (2-methylpropan-2-yl)oxy silicate
CID 174813265
tetraethoxy silicate;tetraethyl silicate
CID 174188107
triethoxy propyl silicate
CID 174508791
ethyl-ethylperoxy-methyl-propan-2-ylsilane
CID 123665721
ethenyl diethoxy methyl silicate
CID 87232139
(1,1-diethoxy-2-methylpropyl) triethyl silicate
CID 175465706
2,5-dimethyl-3,3,4,4-tetra(propan-2-yl)hexane
CID 86018360
N-ethyl-3-methoxy-2-methylbutan-2-amine
CID 118495888
2,3-dimethylpentan-3-yloxy(trimethyl)silane
CID 10679187
tert-butyl N-(2-methylpentan-3-ylamino)carbamate
CID 107237291
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 triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate?
The IUPAC name of triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate (CID 174962642) is triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate.
What is the SMILES notation for triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate?
The canonical SMILES for triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate is CCOO[Si](OOCC)(OOCC)OC(C)(P)C(C)C.
What is the InChIKey of triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate?
The InChIKey is IDYNLTSDDIESCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27O7PSi/c1-7-12-16-20(17-13-8-2,18-14-9-3)15-11(6,19)10(4)5/h10H,7-9,19H2,1-6H3.
What are the key properties of triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate?
triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate has a molecular weight of 330.39 g/mol, XLogP of 2.59, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy (3-methyl-2-phosphanylbutan-2-yl) silicate is sourced from PubChem (CID 174962642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).