triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate

C13H30O6Si — CID 91305541

IUPACtriethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate
SMILESCCO[Si](OCC)(OCC)OCCOC(C)(C)CCO
InChIInChI=1S/C13H30O6Si/c1-6-16-20(17-7-2,18-8-3)19-12-11-15-13(4,5)9-10-14/h14H,6-12H2,1-5H3
InChIKeyLZZSQAJBHTYKSW-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.73
Rot. Bonds13

About triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate

triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate (PubChem CID 91305541) has the molecular formula C13H30O6Si and a molecular weight of 310.46 g/mol. Its IUPAC name is triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate.

Molecular Properties

Compound Nametriethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate
PubChem CID91305541
Molecular FormulaC13H30O6Si
Molecular Weight310.46 g/mol
Exact Mass310.18
IUPAC Nametriethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate
SMILESCCO[Si](OCC)(OCC)OCCOC(C)(C)CCO
InChIInChI=1S/C13H30O6Si/c1-6-16-20(17-7-2,18-8-3)19-12-11-15-13(4,5)9-10-14/h14H,6-12H2,1-5H3
InChIKeyLZZSQAJBHTYKSW-UHFFFAOYSA-N
XLogP1.73
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate?
The IUPAC name of triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate (CID 91305541) is triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate.
What is the SMILES notation for triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate?
The canonical SMILES for triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate is CCO[Si](OCC)(OCC)OCCOC(C)(C)CCO.
What is the InChIKey of triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate?
The InChIKey is LZZSQAJBHTYKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30O6Si/c1-6-16-20(17-7-2,18-8-3)19-12-11-15-13(4,5)9-10-14/h14H,6-12H2,1-5H3.
What are the key properties of triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate?
triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate has a molecular weight of 310.46 g/mol, XLogP of 1.73, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl 2-(4-hydroxy-2-methylbutan-2-yl)oxyethyl silicate is sourced from PubChem (CID 91305541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).