4-methyl-3-trimethylsilylpent-2-ene-1,4-diol

C9H20O2Si — CID 71413476

IUPAC4-methyl-3-trimethylsilylpent-2-ene-1,4-diol
SMILESCC(C)(O)C(=CCO)[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-9(2,11)8(6-7-10)12(3,4)5/h6,10-11H,7H2,1-5H3
InChIKeyVWUUKMNJDYWTRY-UHFFFAOYSA-N
MW188.34 g/mol
LogP1.55
Rot. Bonds3

About 4-methyl-3-trimethylsilylpent-2-ene-1,4-diol

4-methyl-3-trimethylsilylpent-2-ene-1,4-diol (PubChem CID 71413476) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is 4-methyl-3-trimethylsilylpent-2-ene-1,4-diol.

Molecular Properties

Compound Name4-methyl-3-trimethylsilylpent-2-ene-1,4-diol
PubChem CID71413476
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name4-methyl-3-trimethylsilylpent-2-ene-1,4-diol
SMILESCC(C)(O)C(=CCO)[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-9(2,11)8(6-7-10)12(3,4)5/h6,10-11H,7H2,1-5H3
InChIKeyVWUUKMNJDYWTRY-UHFFFAOYSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-trimethylsilylpent-2-ene-1,4-diol?
The IUPAC name of 4-methyl-3-trimethylsilylpent-2-ene-1,4-diol (CID 71413476) is 4-methyl-3-trimethylsilylpent-2-ene-1,4-diol.
What is the SMILES notation for 4-methyl-3-trimethylsilylpent-2-ene-1,4-diol?
The canonical SMILES for 4-methyl-3-trimethylsilylpent-2-ene-1,4-diol is CC(C)(O)C(=CCO)[Si](C)(C)C.
What is the InChIKey of 4-methyl-3-trimethylsilylpent-2-ene-1,4-diol?
The InChIKey is VWUUKMNJDYWTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-9(2,11)8(6-7-10)12(3,4)5/h6,10-11H,7H2,1-5H3.
What are the key properties of 4-methyl-3-trimethylsilylpent-2-ene-1,4-diol?
4-methyl-3-trimethylsilylpent-2-ene-1,4-diol has a molecular weight of 188.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-trimethylsilylpent-2-ene-1,4-diol is sourced from PubChem (CID 71413476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).