trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate

C16H38O4Si2 — CID 158950519

IUPACtrimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate
SMILESC[Si](C)(C)C=CCC1CO1.C[Si](C)(C)CCCC(O)CO.O
InChIInChI=1S/C8H20O2Si.C8H16OSi.H2O/c1-11(2,3)6-4-5-8(10)7-9;1-10(2,3)6-4-5-8-7-9-8;/h8-10H,4-7H2,1-3H3;4,6,8H,5,7H2,1-3H3;1H2
InChIKeyPNXYUPFVNUVGMD-UHFFFAOYSA-N
MW350.65 g/mol
LogP2.84
Rot. Bonds8

About trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate

trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate (PubChem CID 158950519) has the molecular formula C16H38O4Si2 and a molecular weight of 350.65 g/mol. Its IUPAC name is trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate.

Molecular Properties

Compound Nametrimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate
PubChem CID158950519
Molecular FormulaC16H38O4Si2
Molecular Weight350.65 g/mol
Exact Mass350.23
IUPAC Nametrimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate
SMILESC[Si](C)(C)C=CCC1CO1.C[Si](C)(C)CCCC(O)CO.O
InChIInChI=1S/C8H20O2Si.C8H16OSi.H2O/c1-11(2,3)6-4-5-8(10)7-9;1-10(2,3)6-4-5-8-7-9-8;/h8-10H,4-7H2,1-3H3;4,6,8H,5,7H2,1-3H3;1H2
InChIKeyPNXYUPFVNUVGMD-UHFFFAOYSA-N
XLogP2.84
TPSA84.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1S,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968873
(1R,3Z,6Z)-9-[tert-butyl(dimethyl)silyl]oxy-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]nona-3,6-dien-1-ol
CID 138968875
Methanol;4-methoxypent-1-ene;pentan-2-ol;propane;tetramethylsilane;trimethylsilane;hydrate
CID 159143525
tert-butyl-dimethyl-pent-4-enoxysilane;(2R)-5-[tert-butyl(dimethyl)silyl]oxypentane-1,2-diol;methane;propane
CID 159162582
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol;(2R)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 161472770
(1R)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol
CID 10943199
(1S)-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol
CID 11106071
(1R)-1-[(2R,3R)-3-trimethylsilyloxiran-2-yl]but-3-en-1-ol
CID 11401211
(3Z,6Z)-10-[tert-butyl(dimethyl)silyl]oxy-1-(3-trimethylsilyloxiran-2-yl)deca-3,6-dien-1-ol
CID 101805343
(Z,1S)-7-[tert-butyl(dimethyl)silyl]oxy-1-[(2S,3S)-3-trimethylsilyloxiran-2-yl]hept-3-en-1-ol
CID 132938699

Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate?
The IUPAC name of trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate (CID 158950519) is trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate.
What is the SMILES notation for trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate?
The canonical SMILES for trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate is C[Si](C)(C)C=CCC1CO1.C[Si](C)(C)CCCC(O)CO.O.
What is the InChIKey of trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate?
The InChIKey is PNXYUPFVNUVGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O2Si.C8H16OSi.H2O/c1-11(2,3)6-4-5-8(10)7-9;1-10(2,3)6-4-5-8-7-9-8;/h8-10H,4-7H2,1-3H3;4,6,8H,5,7H2,1-3H3;1H2.
What are the key properties of trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate?
trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate has a molecular weight of 350.65 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-(oxiran-2-yl)prop-1-enyl]silane;5-trimethylsilylpentane-1,2-diol;hydrate is sourced from PubChem (CID 158950519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).