triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane

C23H46OSi2 — CID 135021189

IUPACtriethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane
SMILESC=CCC(/C=C(\CC=C(C)C)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C23H46OSi2/c1-10-17-22(24-26(14-5,15-6)16-7)20-23(19-18-21(8)9)25(11-2,12-3)13-4/h10,18,20,22H,1,11-17,19H2,2-9H3/b23-20+
InChIKeyNIRXJPHOURYXDA-BSYVCWPDSA-N
MW394.79 g/mol
LogP8.28
Rot. Bonds14

About triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane

triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane (PubChem CID 135021189) has the molecular formula C23H46OSi2 and a molecular weight of 394.79 g/mol. Its IUPAC name is triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane.

Molecular Properties

Compound Nametriethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane
PubChem CID135021189
Molecular FormulaC23H46OSi2
Molecular Weight394.79 g/mol
Exact Mass394.31
IUPAC Nametriethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane
SMILESC=CCC(/C=C(\CC=C(C)C)[Si](CC)(CC)CC)O[Si](CC)(CC)CC
InChIInChI=1S/C23H46OSi2/c1-10-17-22(24-26(14-5,15-6)16-7)20-23(19-18-21(8)9)25(11-2,12-3)13-4/h10,18,20,22H,1,11-17,19H2,2-9H3/b23-20+
InChIKeyNIRXJPHOURYXDA-BSYVCWPDSA-N
XLogP8.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.79
LogP ≤ 58.28
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'}

Analyze triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane?
The IUPAC name of triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane (CID 135021189) is triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane.
What is the SMILES notation for triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane?
The canonical SMILES for triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane is C=CCC(/C=C(\CC=C(C)C)[Si](CC)(CC)CC)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane?
The InChIKey is NIRXJPHOURYXDA-BSYVCWPDSA-N. The full InChI is InChI=1S/C23H46OSi2/c1-10-17-22(24-26(14-5,15-6)16-7)20-23(19-18-21(8)9)25(11-2,12-3)13-4/h10,18,20,22H,1,11-17,19H2,2-9H3/b23-20+.
What are the key properties of triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane?
triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane has a molecular weight of 394.79 g/mol, XLogP of 8.28, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2E)-6-methyl-1-prop-2-enyl-3-triethylsilylhepta-2,5-dienoxy]silane is sourced from PubChem (CID 135021189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).