2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol

C11H24O2Si — CID 101008229

IUPAC2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol
SMILESCC(CO)(CO)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-11(9-12,10-13)7-5-6-8-14(2,3)4/h5-6,12-13H,7-10H2,1-4H3/b6-5+
InChIKeyWWYYVEXYIGGVJG-AATRIKPKSA-N
MW216.40 g/mol
LogP2.26
Rot. Bonds6

About 2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol

2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol (PubChem CID 101008229) has the molecular formula C11H24O2Si and a molecular weight of 216.40 g/mol. Its IUPAC name is 2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol.

Molecular Properties

Compound Name2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol
PubChem CID101008229
Molecular FormulaC11H24O2Si
Molecular Weight216.40 g/mol
Exact Mass216.15
IUPAC Name2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol
SMILESCC(CO)(CO)C/C=C/C[Si](C)(C)C
InChIInChI=1S/C11H24O2Si/c1-11(9-12,10-13)7-5-6-8-14(2,3)4/h5-6,12-13H,7-10H2,1-4H3/b6-5+
InChIKeyWWYYVEXYIGGVJG-AATRIKPKSA-N
XLogP2.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol
CID 11745720
(Z)-6-trimethylsilylhex-4-en-1-ol
CID 14080211
[(1R,4R)-1-methyl-4-trimethylsilylcyclopent-2-en-1-yl]methanol
CID 14961485
(E,2S,3R)-2-[[ditert-butyl(prop-2-enyl)silyl]methyl]-2,3,6-trimethylhept-4-en-1-ol
CID 16071699
6-(Trimethylsilyl)hex-4-en-1-ol
CID 71331812
1-[Tert-butyl(dimethyl)silyl]-5,5-dimethylhex-2-en-1-ol
CID 85824406
(Z)-2,2,7,7-tetramethyloct-4-ene-1,8-diol
CID 102143435
(E,2R,5S)-7-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethylhept-3-en-1-ol
CID 135045339
(E)-1-[tert-butyl(dimethyl)silyl]-5,5-dimethylhex-2-en-1-ol
CID 176423077
(E)-3,3-dimethyl-7-trimethylsilylhept-5-en-1-ol
CID 15090182
(E)-2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
CID 23189398
2-Methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
CID 54245932

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol?
The IUPAC name of 2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol (CID 101008229) is 2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol.
What is the SMILES notation for 2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol?
The canonical SMILES for 2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol is CC(CO)(CO)C/C=C/C[Si](C)(C)C.
What is the InChIKey of 2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol?
The InChIKey is WWYYVEXYIGGVJG-AATRIKPKSA-N. The full InChI is InChI=1S/C11H24O2Si/c1-11(9-12,10-13)7-5-6-8-14(2,3)4/h5-6,12-13H,7-10H2,1-4H3/b6-5+.
What are the key properties of 2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol?
2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol has a molecular weight of 216.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol is sourced from PubChem (CID 101008229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).