triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane

C15H30OSi — CID 11139703

IUPACtriethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
SMILESC=CCCC(O[Si](CC)(CC)CC)/C(C)=C/C
InChIInChI=1S/C15H30OSi/c1-7-12-13-15(14(6)8-2)16-17(9-3,10-4)11-5/h7-8,15H,1,9-13H2,2-6H3/b14-8+
InChIKeyPPDCKGVOIOOOAA-RIYZIHGNSA-N
MW254.49 g/mol
LogP5.31
Rot. Bonds9

About triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane

triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane (PubChem CID 11139703) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane.

Molecular Properties

Compound Nametriethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
PubChem CID11139703
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Nametriethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane
SMILESC=CCCC(O[Si](CC)(CC)CC)/C(C)=C/C
InChIInChI=1S/C15H30OSi/c1-7-12-13-15(14(6)8-2)16-17(9-3,10-4)11-5/h7-8,15H,1,9-13H2,2-6H3/b14-8+
InChIKeyPPDCKGVOIOOOAA-RIYZIHGNSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.49
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Ctk0J4668
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Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane?
The IUPAC name of triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane (CID 11139703) is triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane.
What is the SMILES notation for triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane?
The canonical SMILES for triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane is C=CCCC(O[Si](CC)(CC)CC)/C(C)=C/C.
What is the InChIKey of triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane?
The InChIKey is PPDCKGVOIOOOAA-RIYZIHGNSA-N. The full InChI is InChI=1S/C15H30OSi/c1-7-12-13-15(14(6)8-2)16-17(9-3,10-4)11-5/h7-8,15H,1,9-13H2,2-6H3/b14-8+.
What are the key properties of triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane?
triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane has a molecular weight of 254.49 g/mol, XLogP of 5.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E)-3-methylocta-2,7-dien-4-yl]oxysilane is sourced from PubChem (CID 11139703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).