6-trihydroxysilylhexyl 2-methylpropanoate

C10H22O5Si — CID 102303066

IUPAC6-trihydroxysilylhexyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCCCCC[Si](O)(O)O
InChIInChI=1S/C10H22O5Si/c1-9(2)10(11)15-7-5-3-4-6-8-16(12,13)14/h9,12-14H,3-8H2,1-2H3
InChIKeyUHERCPJTJWJZBQ-UHFFFAOYSA-N
MW250.37 g/mol
LogP0.66
Rot. Bonds8

About 6-trihydroxysilylhexyl 2-methylpropanoate

6-trihydroxysilylhexyl 2-methylpropanoate (PubChem CID 102303066) has the molecular formula C10H22O5Si and a molecular weight of 250.37 g/mol. Its IUPAC name is 6-trihydroxysilylhexyl 2-methylpropanoate.

Molecular Properties

Compound Name6-trihydroxysilylhexyl 2-methylpropanoate
PubChem CID102303066
Molecular FormulaC10H22O5Si
Molecular Weight250.37 g/mol
Exact Mass250.12
IUPAC Name6-trihydroxysilylhexyl 2-methylpropanoate
SMILESCC(C)C(=O)OCCCCCC[Si](O)(O)O
InChIInChI=1S/C10H22O5Si/c1-9(2)10(11)15-7-5-3-4-6-8-16(12,13)14/h9,12-14H,3-8H2,1-2H3
InChIKeyUHERCPJTJWJZBQ-UHFFFAOYSA-N
XLogP0.66
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

16-hydroxyhexadecyl 2-methylpropanoate
CID 134918438
6-methoxyhexyl 2-methylpropanoate
CID 135199835
8-aminooctyl 2-methylpropanoate
CID 88886116
12-hydroxydodecyl 2-methylpropanoate
CID 15120440
oct-7-enyl 2-methylpropanoate
CID 87633860
3-aminopropyl 2-methylpropanoate
CID 59078098
butyl 2-methylpropanoate;2-methylpropane
CID 157176975
6-(prop-2-enoylamino)hexyl 2-methylpropanoate
CID 59532953
2-trimethoxysilylethyl 2-methylpropanoate
CID 59172701
6-trichlorosilylhexyl 2-bromopropanoate
CID 59215465
3-(diethylamino)propyl 2-methylpropanoate
CID 58333619
8-trimethoxysilyloctyl 2-methylbutanoate
CID 140925907

Frequently Asked Questions

What is the IUPAC name of 6-trihydroxysilylhexyl 2-methylpropanoate?
The IUPAC name of 6-trihydroxysilylhexyl 2-methylpropanoate (CID 102303066) is 6-trihydroxysilylhexyl 2-methylpropanoate.
What is the SMILES notation for 6-trihydroxysilylhexyl 2-methylpropanoate?
The canonical SMILES for 6-trihydroxysilylhexyl 2-methylpropanoate is CC(C)C(=O)OCCCCCC[Si](O)(O)O.
What is the InChIKey of 6-trihydroxysilylhexyl 2-methylpropanoate?
The InChIKey is UHERCPJTJWJZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5Si/c1-9(2)10(11)15-7-5-3-4-6-8-16(12,13)14/h9,12-14H,3-8H2,1-2H3.
What are the key properties of 6-trihydroxysilylhexyl 2-methylpropanoate?
6-trihydroxysilylhexyl 2-methylpropanoate has a molecular weight of 250.37 g/mol, XLogP of 0.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-trihydroxysilylhexyl 2-methylpropanoate is sourced from PubChem (CID 102303066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).