1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol

C16H38O5Si3 — CID 87351098

IUPAC1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol
SMILESC=C(C)COCC(O)CO[Si](CCC)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H38O5Si3/c1-10-11-24(20-22(4,5)6,21-23(7,8)9)19-14-16(17)13-18-12-15(2)3/h16-17H,2,10-14H2,1,3-9H3
InChIKeyGXILFKHTUOOKIG-UHFFFAOYSA-N
MW394.73 g/mol
LogP4.01
Rot. Bonds13

About 1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol

1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol (PubChem CID 87351098) has the molecular formula C16H38O5Si3 and a molecular weight of 394.73 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol.

Molecular Properties

Compound Name1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol
PubChem CID87351098
Molecular FormulaC16H38O5Si3
Molecular Weight394.73 g/mol
Exact Mass394.20
IUPAC Name1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol
SMILESC=C(C)COCC(O)CO[Si](CCC)(O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C16H38O5Si3/c1-10-11-24(20-22(4,5)6,21-23(7,8)9)19-14-16(17)13-18-12-15(2)3/h16-17H,2,10-14H2,1,3-9H3
InChIKeyGXILFKHTUOOKIG-UHFFFAOYSA-N
XLogP4.01
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.73
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol?
The IUPAC name of 1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol (CID 87351098) is 1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol.
What is the SMILES notation for 1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol?
The canonical SMILES for 1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol is C=C(C)COCC(O)CO[Si](CCC)(O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of 1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol?
The InChIKey is GXILFKHTUOOKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38O5Si3/c1-10-11-24(20-22(4,5)6,21-23(7,8)9)19-14-16(17)13-18-12-15(2)3/h16-17H,2,10-14H2,1,3-9H3.
What are the key properties of 1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol?
1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol has a molecular weight of 394.73 g/mol, XLogP of 4.01, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoxy)-3-[propyl-bis(trimethylsilyloxy)silyl]oxypropan-2-ol is sourced from PubChem (CID 87351098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).