2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol

C17H42O5Si3 — CID 140891436

IUPAC2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol
SMILESCCC(CO)(CO)OCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si3/c1-9-17(15-18,16-19)20-13-11-10-12-14-25(8,21-23(2,3)4)22-24(5,6)7/h18-19H,9-16H2,1-8H3
InChIKeySYMVULOPBKYSAM-UHFFFAOYSA-N
MW410.78 g/mol
LogP4.08
Rot. Bonds14

About 2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol

2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol (PubChem CID 140891436) has the molecular formula C17H42O5Si3 and a molecular weight of 410.78 g/mol. Its IUPAC name is 2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol
PubChem CID140891436
Molecular FormulaC17H42O5Si3
Molecular Weight410.78 g/mol
Exact Mass410.23
IUPAC Name2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol
SMILESCCC(CO)(CO)OCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C17H42O5Si3/c1-9-17(15-18,16-19)20-13-11-10-12-14-25(8,21-23(2,3)4)22-24(5,6)7/h18-19H,9-16H2,1-8H3
InChIKeySYMVULOPBKYSAM-UHFFFAOYSA-N
XLogP4.08
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.78
LogP ≤ 54.08
H-Bond Donors ≤ 52
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

2-methyl-2-[4-[methyl-bis(trimethylsilyloxy)silyl]butoxy]propane-1,3-diol
CID 140891430
2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-[[2-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]-2-(hydroxymethyl)butyl]peroxymethyl]butan-1-ol;methane
CID 123576942
6-[methyl-bis(trimethylsilyloxy)silyl]hexan-1-ol
CID 59029801
hexadecyl-methyl-bis(trimethylsilyloxy)silane
CID 71356149
[dimethyl(trimethylsilyloxy)silyl]oxy-hexyl-methyl-trimethylsilyloxysilane
CID 58022647
2-ethyl-2-[3-(1-hydroxy-2-methylprop-2-enoxy)propoxy]propane-1,3-diol
CID 58836384
2-[[methyl-bis(trimethylsilyloxy)silyl]methoxymethyl]-2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]propane-1,3-diol
CID 153470020
2-[2-[2-[3-[[[[[[[[[[[[[[[[[[[[[[[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-hexadecyl-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-[3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propyl]-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]propoxy]ethoxy]ethoxy]ethanol
CID 177292558
11-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]undecan-1-ol;methane;tungsten;yttrium
CID 162241035
4-[[dimethyl(trimethylsilyloxy)silyl]oxy-(hexadecyl-methyl-trimethylsilyloxysilyl)oxy-methylsilyl]butan-1-ol;methane;tungsten;yttrium
CID 159333397
[dimethyl-(methyl-pentyl-trimethylsilyloxysilyl)oxysilyl]oxy-dimethyl-trimethylsilyloxysilane
CID 59892520
6-[[6-hydroxyhexyl-[6-hydroxyhexyl(dimethyl)silyl]oxy-methylsilyl]oxy-dimethylsilyl]hexan-1-ol
CID 58975336

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol (CID 140891436) is 2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol is CCC(CO)(CO)OCCCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol?
The InChIKey is SYMVULOPBKYSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H42O5Si3/c1-9-17(15-18,16-19)20-13-11-10-12-14-25(8,21-23(2,3)4)22-24(5,6)7/h18-19H,9-16H2,1-8H3.
What are the key properties of 2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol?
2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol has a molecular weight of 410.78 g/mol, XLogP of 4.08, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[5-[methyl-bis(trimethylsilyloxy)silyl]pentoxy]propane-1,3-diol is sourced from PubChem (CID 140891436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).