triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane

C22H38OSi — CID 101380181

IUPACtriethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane
SMILESCCCCC/C=C(\c1ccccc1OC(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C22H38OSi/c1-7-11-12-13-18-22(24(8-2,9-3)10-4)20-16-14-15-17-21(20)23-19(5)6/h14-19H,7-13H2,1-6H3/b22-18+
InChIKeyZWPQOWIHYOPJMA-RELWKKBWSA-N
MW346.63 g/mol
LogP7.49
Rot. Bonds11

About triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane

triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane (PubChem CID 101380181) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane.

Molecular Properties

Compound Nametriethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane
PubChem CID101380181
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Nametriethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane
SMILESCCCCC/C=C(\c1ccccc1OC(C)C)[Si](CC)(CC)CC
InChIInChI=1S/C22H38OSi/c1-7-11-12-13-18-22(24(8-2,9-3)10-4)20-16-14-15-17-21(20)23-19(5)6/h14-19H,7-13H2,1-6H3/b22-18+
InChIKeyZWPQOWIHYOPJMA-RELWKKBWSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.63
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane?
The IUPAC name of triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane (CID 101380181) is triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane.
What is the SMILES notation for triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane?
The canonical SMILES for triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane is CCCCC/C=C(\c1ccccc1OC(C)C)[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane?
The InChIKey is ZWPQOWIHYOPJMA-RELWKKBWSA-N. The full InChI is InChI=1S/C22H38OSi/c1-7-11-12-13-18-22(24(8-2,9-3)10-4)20-16-14-15-17-21(20)23-19(5)6/h14-19H,7-13H2,1-6H3/b22-18+.
What are the key properties of triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane?
triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane has a molecular weight of 346.63 g/mol, XLogP of 7.49, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-1-(2-propan-2-yloxyphenyl)hept-1-enyl]silane is sourced from PubChem (CID 101380181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).