triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane

C22H44OSi2 — CID 135020837

IUPACtriethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
SMILESC=CCC(/C=C(\CC(=C)C)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C22H44OSi2/c1-10-17-21(23-25(14-5,15-6)16-7)19-22(18-20(8)9)24(11-2,12-3)13-4/h10,19,21H,1,8,11-18H2,2-7,9H3/b22-19+
InChIKeyKNYHCJYTYMSWCA-ZBJSNUHESA-N
MW380.77 g/mol
LogP7.89
Rot. Bonds14

About triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane

triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane (PubChem CID 135020837) has the molecular formula C22H44OSi2 and a molecular weight of 380.77 g/mol. Its IUPAC name is triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane.

Molecular Properties

Compound Nametriethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
PubChem CID135020837
Molecular FormulaC22H44OSi2
Molecular Weight380.77 g/mol
Exact Mass380.29
IUPAC Nametriethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane
SMILESC=CCC(/C=C(\CC(=C)C)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C22H44OSi2/c1-10-17-21(23-25(14-5,15-6)16-7)19-22(18-20(8)9)24(11-2,12-3)13-4/h10,19,21H,1,8,11-18H2,2-7,9H3/b22-19+
InChIKeyKNYHCJYTYMSWCA-ZBJSNUHESA-N
XLogP7.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.77
LogP ≤ 57.89
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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Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane?
The IUPAC name of triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane (CID 135020837) is triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane.
What is the SMILES notation for triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane?
The canonical SMILES for triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane is C=CCC(/C=C(\CC(=C)C)[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane?
The InChIKey is KNYHCJYTYMSWCA-ZBJSNUHESA-N. The full InChI is InChI=1S/C22H44OSi2/c1-10-17-21(23-25(14-5,15-6)16-7)19-22(18-20(8)9)24(11-2,12-3)13-4/h10,19,21H,1,8,11-18H2,2-7,9H3/b22-19+.
What are the key properties of triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane?
triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane has a molecular weight of 380.77 g/mol, XLogP of 7.89, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E)-5-methyl-1-prop-2-enyl-3-triethylsilylhexa-2,5-dienoxy]silane is sourced from PubChem (CID 135020837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).