(E)-3-trimethylsilylhex-2-ene-1,4-diol

C9H20O2Si — CID 13183195

IUPAC(E)-3-trimethylsilylhex-2-ene-1,4-diol
SMILESCCC(O)/C(=C\CO)[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-8(11)9(6-7-10)12(2,3)4/h6,8,10-11H,5,7H2,1-4H3/b9-6+
InChIKeyAWYRQCDXYCQAQN-RMKNXTFCSA-N
MW188.34 g/mol
LogP1.55
Rot. Bonds4

About (E)-3-trimethylsilylhex-2-ene-1,4-diol

(E)-3-trimethylsilylhex-2-ene-1,4-diol (PubChem CID 13183195) has the molecular formula C9H20O2Si and a molecular weight of 188.34 g/mol. Its IUPAC name is (E)-3-trimethylsilylhex-2-ene-1,4-diol.

Molecular Properties

Compound Name(E)-3-trimethylsilylhex-2-ene-1,4-diol
PubChem CID13183195
Molecular FormulaC9H20O2Si
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name(E)-3-trimethylsilylhex-2-ene-1,4-diol
SMILESCCC(O)/C(=C\CO)[Si](C)(C)C
InChIInChI=1S/C9H20O2Si/c1-5-8(11)9(6-7-10)12(2,3)4/h6,8,10-11H,5,7H2,1-4H3/b9-6+
InChIKeyAWYRQCDXYCQAQN-RMKNXTFCSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 (E)-3-trimethylsilylhex-2-ene-1,4-diol?
The IUPAC name of (E)-3-trimethylsilylhex-2-ene-1,4-diol (CID 13183195) is (E)-3-trimethylsilylhex-2-ene-1,4-diol.
What is the SMILES notation for (E)-3-trimethylsilylhex-2-ene-1,4-diol?
The canonical SMILES for (E)-3-trimethylsilylhex-2-ene-1,4-diol is CCC(O)/C(=C\CO)[Si](C)(C)C.
What is the InChIKey of (E)-3-trimethylsilylhex-2-ene-1,4-diol?
The InChIKey is AWYRQCDXYCQAQN-RMKNXTFCSA-N. The full InChI is InChI=1S/C9H20O2Si/c1-5-8(11)9(6-7-10)12(2,3)4/h6,8,10-11H,5,7H2,1-4H3/b9-6+.
What are the key properties of (E)-3-trimethylsilylhex-2-ene-1,4-diol?
(E)-3-trimethylsilylhex-2-ene-1,4-diol has a molecular weight of 188.34 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-trimethylsilylhex-2-ene-1,4-diol is sourced from PubChem (CID 13183195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).