2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate

C17H38O6Si3 — CID 54106875

IUPAC2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate
SMILESC=C(CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)OCC(O)CO
InChIInChI=1S/C17H38O6Si3/c1-15(17(20)21-14-16(19)13-18)11-9-10-12-26(8,22-24(2,3)4)23-25(5,6)7/h16,18-19H,1,9-14H2,2-8H3
InChIKeyNEIXWZSLKRDDIS-UHFFFAOYSA-N
MW422.74 g/mol
LogP3.38
Rot. Bonds13

About 2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate

2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate (PubChem CID 54106875) has the molecular formula C17H38O6Si3 and a molecular weight of 422.74 g/mol. Its IUPAC name is 2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate
PubChem CID54106875
Molecular FormulaC17H38O6Si3
Molecular Weight422.74 g/mol
Exact Mass422.20
IUPAC Name2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate
SMILESC=C(CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)OCC(O)CO
InChIInChI=1S/C17H38O6Si3/c1-15(17(20)21-14-16(19)13-18)11-9-10-12-26(8,22-24(2,3)4)23-25(5,6)7/h16,18-19H,1,9-14H2,2-8H3
InChIKeyNEIXWZSLKRDDIS-UHFFFAOYSA-N
XLogP3.38
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.74
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate?
The IUPAC name of 2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate (CID 54106875) is 2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate.
What is the SMILES notation for 2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate?
The canonical SMILES for 2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate is C=C(CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate?
The InChIKey is NEIXWZSLKRDDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O6Si3/c1-15(17(20)21-14-16(19)13-18)11-9-10-12-26(8,22-24(2,3)4)23-25(5,6)7/h16,18-19H,1,9-14H2,2-8H3.
What are the key properties of 2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate?
2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate has a molecular weight of 422.74 g/mol, XLogP of 3.38, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl 6-[methyl-bis(trimethylsilyloxy)silyl]-2-methylidenehexanoate is sourced from PubChem (CID 54106875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).