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

C10H22O2Si — CID 11745720

IUPAC2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol
SMILESC[Si](C)(C)C/C=C/CC(CO)CO
InChIInChI=1S/C10H22O2Si/c1-13(2,3)7-5-4-6-10(8-11)9-12/h4-5,10-12H,6-9H2,1-3H3/b5-4+
InChIKeyAMIOJYCJIPXTQR-SNAWJCMRSA-N
MW202.37 g/mol
LogP1.87
Rot. Bonds6

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

2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol (PubChem CID 11745720) has the molecular formula C10H22O2Si and a molecular weight of 202.37 g/mol. Its IUPAC name is 2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol
PubChem CID11745720
Molecular FormulaC10H22O2Si
Molecular Weight202.37 g/mol
Exact Mass202.14
IUPAC Name2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol
SMILESC[Si](C)(C)C/C=C/CC(CO)CO
InChIInChI=1S/C10H22O2Si/c1-13(2,3)7-5-4-6-10(8-11)9-12/h4-5,10-12H,6-9H2,1-3H3/b5-4+
InChIKeyAMIOJYCJIPXTQR-SNAWJCMRSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 51.87
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol?
The IUPAC name of 2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol (CID 11745720) is 2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol.
What is the SMILES notation for 2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol?
The canonical SMILES for 2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol is C[Si](C)(C)C/C=C/CC(CO)CO.
What is the InChIKey of 2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol?
The InChIKey is AMIOJYCJIPXTQR-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H22O2Si/c1-13(2,3)7-5-4-6-10(8-11)9-12/h4-5,10-12H,6-9H2,1-3H3/b5-4+.
What are the key properties of 2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol?
2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol has a molecular weight of 202.37 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-trimethylsilylbut-2-enyl]propane-1,3-diol is sourced from PubChem (CID 11745720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).