lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane

C12H21LiOSi — CID 134885125

IUPAClithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane
SMILES[H]/[C-]=C(/C)CC/C=C(\C=C)O[Si](C)(C)C.[Li+]
InChIInChI=1S/C12H21OSi.Li/c1-7-12(13-14(4,5)6)10-8-9-11(2)3;/h2,7,10H,1,8-9H2,3-6H3;/q-1;+1/b12-10+;
InChIKeyYUUCYPMJFXUMII-VHPXAQPISA-N
MW216.33 g/mol
LogP1.07
Rot. Bonds6

About lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane

lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane (PubChem CID 134885125) has the molecular formula C12H21LiOSi and a molecular weight of 216.33 g/mol. Its IUPAC name is lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane.

Molecular Properties

Compound Namelithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane
PubChem CID134885125
Molecular FormulaC12H21LiOSi
Molecular Weight216.33 g/mol
Exact Mass216.15
IUPAC Namelithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane
SMILES[H]/[C-]=C(/C)CC/C=C(\C=C)O[Si](C)(C)C.[Li+]
InChIInChI=1S/C12H21OSi.Li/c1-7-12(13-14(4,5)6)10-8-9-11(2)3;/h2,7,10H,1,8-9H2,3-6H3;/q-1;+1/b12-10+;
InChIKeyYUUCYPMJFXUMII-VHPXAQPISA-N
XLogP1.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane?
The IUPAC name of lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane (CID 134885125) is lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane.
What is the SMILES notation for lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane?
The canonical SMILES for lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane is [H]/[C-]=C(/C)CC/C=C(\C=C)O[Si](C)(C)C.[Li+].
What is the InChIKey of lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane?
The InChIKey is YUUCYPMJFXUMII-VHPXAQPISA-N. The full InChI is InChI=1S/C12H21OSi.Li/c1-7-12(13-14(4,5)6)10-8-9-11(2)3;/h2,7,10H,1,8-9H2,3-6H3;/q-1;+1/b12-10+;.
What are the key properties of lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane?
lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane has a molecular weight of 216.33 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium trimethyl-[(3E)-7-methylocta-1,3,7-trien-3-yl]oxysilane is sourced from PubChem (CID 134885125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).