(2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol

C14H30O2Si2 — CID 25107473

IUPAC(2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol
SMILESC[Si](C)(C)C/C=C/[C@H](O)[C@@H](O)/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H30O2Si2/c1-17(2,3)11-7-9-13(15)14(16)10-8-12-18(4,5)6/h7-10,13-16H,11-12H2,1-6H3/b9-7+,10-8+/t13-,14-/m0/s1
InChIKeyFEFOJKGXOHQTSH-FETIZUMASA-N
MW286.56 g/mol
LogP3.50
Rot. Bonds7

About (2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol

(2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol (PubChem CID 25107473) has the molecular formula C14H30O2Si2 and a molecular weight of 286.56 g/mol. Its IUPAC name is (2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol.

Molecular Properties

Compound Name(2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol
PubChem CID25107473
Molecular FormulaC14H30O2Si2
Molecular Weight286.56 g/mol
Exact Mass286.18
IUPAC Name(2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol
SMILESC[Si](C)(C)C/C=C/[C@H](O)[C@@H](O)/C=C/C[Si](C)(C)C
InChIInChI=1S/C14H30O2Si2/c1-17(2,3)11-7-9-13(15)14(16)10-8-12-18(4,5)6/h7-10,13-16H,11-12H2,1-6H3/b9-7+,10-8+/t13-,14-/m0/s1
InChIKeyFEFOJKGXOHQTSH-FETIZUMASA-N
XLogP3.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.50
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 (2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol?
The IUPAC name of (2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol (CID 25107473) is (2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol.
What is the SMILES notation for (2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol?
The canonical SMILES for (2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol is C[Si](C)(C)C/C=C/[C@H](O)[C@@H](O)/C=C/C[Si](C)(C)C.
What is the InChIKey of (2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol?
The InChIKey is FEFOJKGXOHQTSH-FETIZUMASA-N. The full InChI is InChI=1S/C14H30O2Si2/c1-17(2,3)11-7-9-13(15)14(16)10-8-12-18(4,5)6/h7-10,13-16H,11-12H2,1-6H3/b9-7+,10-8+/t13-,14-/m0/s1.
What are the key properties of (2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol?
(2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol has a molecular weight of 286.56 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4S,5S,6E)-1,8-bis(trimethylsilyl)octa-2,6-diene-4,5-diol is sourced from PubChem (CID 25107473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).