2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate

C39H84O6Si3 — CID 90770984

IUPAC2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)(C)C(=O)OCC[Si](C)(C)C.CCC(C)(C)C(=O)OC[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si.C12H26O2Si.C11H24O2Si/c1-10-16(8,9)15(17)18-11-19(12(2)3,13(4)5)14(6)7;1-7-12(2,3)11(13)14-9-8-10-15(4,5)6;1-7-11(2,3)10(12)13-8-9-14(4,5)6/h12-14H,10-11H2,1-9H3;7-10H2,1-6H3;7-9H2,1-6H3
InChIKeyMKOWOUPWUALQMA-UHFFFAOYSA-N
MW733.35 g/mol
LogP12.18
Rot. Bonds18

About 2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate

2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate (PubChem CID 90770984) has the molecular formula C39H84O6Si3 and a molecular weight of 733.35 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate
PubChem CID90770984
Molecular FormulaC39H84O6Si3
Molecular Weight733.35 g/mol
Exact Mass732.56
IUPAC Name2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)(C)C(=O)OCC[Si](C)(C)C.CCC(C)(C)C(=O)OC[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C16H34O2Si.C12H26O2Si.C11H24O2Si/c1-10-16(8,9)15(17)18-11-19(12(2)3,13(4)5)14(6)7;1-7-12(2,3)11(13)14-9-8-10-15(4,5)6;1-7-11(2,3)10(12)13-8-9-14(4,5)6/h12-14H,10-11H2,1-9H3;7-10H2,1-6H3;7-9H2,1-6H3
InChIKeyMKOWOUPWUALQMA-UHFFFAOYSA-N
XLogP12.18
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.35
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate 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

13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
2-tris(trimethylsilyl)silylethyl 2,2-dimethylbutanoate
CID 58927101
3-tritritiooxysilylpropyl 2,2-dimethylbutanoate
CID 140697808
3-trimethylsilylpropyl 2,4-dimethyl-2-propan-2-ylpent-3-enoate
CID 89023482
(4-methyl-4-trimethylsilylpentyl) 2,2-dimethylbutanoate
CID 22889670
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753
pentyl 2,2-dimethylbutanoate
CID 59940538
tris(trimethylsilyloxy)silylmethyl 2,2-dimethylbutanoate
CID 20708550
3-sulfanylpropyl 2,2-dimethylbutanoate
CID 89322969
tridecyl 2,2-dimethylbutanoate
CID 59651442
4-(dimethylamino)butyl 2,2-dimethylbutanoate
CID 58545338
3-trimethylsilyloxysilylpropyl 2,2-dimethylbutanoate
CID 123433875

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate?
The IUPAC name of 2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate (CID 90770984) is 2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate.
What is the SMILES notation for 2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate?
The canonical SMILES for 2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OCCC[Si](C)(C)C.CCC(C)(C)C(=O)OCC[Si](C)(C)C.CCC(C)(C)C(=O)OC[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate?
The InChIKey is MKOWOUPWUALQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O2Si.C12H26O2Si.C11H24O2Si/c1-10-16(8,9)15(17)18-11-19(12(2)3,13(4)5)14(6)7;1-7-12(2,3)11(13)14-9-8-10-15(4,5)6;1-7-11(2,3)10(12)13-8-9-14(4,5)6/h12-14H,10-11H2,1-9H3;7-10H2,1-6H3;7-9H2,1-6H3.
What are the key properties of 2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate?
2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate has a molecular weight of 733.35 g/mol, XLogP of 12.18, 18 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 2,2-dimethylbutanoate;3-trimethylsilylpropyl 2,2-dimethylbutanoate;tri(propan-2-yl)silylmethyl 2,2-dimethylbutanoate is sourced from PubChem (CID 90770984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).