[(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane

C22H38OSi — CID 86287482

IUPAC[(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCC/C=C/CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H38OSi/c1-19(2)24(20(3)4,21(5)6)23-18-14-9-7-8-11-15-22-16-12-10-13-17-22/h7-8,10,12-13,16-17,19-21H,9,11,14-15,18H2,1-6H3/b8-7+
InChIKeyIIPXBDHMKHJHBA-BQYQJAHWSA-N
MW346.63 g/mol
LogP7.15
Rot. Bonds11

About [(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane

[(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane (PubChem CID 86287482) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is [(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane
PubChem CID86287482
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Name[(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCC/C=C/CCc1ccccc1)(C(C)C)C(C)C
InChIInChI=1S/C22H38OSi/c1-19(2)24(20(3)4,21(5)6)23-18-14-9-7-8-11-15-22-16-12-10-13-17-22/h7-8,10,12-13,16-17,19-21H,9,11,14-15,18H2,1-6H3/b8-7+
InChIKeyIIPXBDHMKHJHBA-BQYQJAHWSA-N
XLogP7.15
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 ≤ 57.15
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane?
The IUPAC name of [(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane (CID 86287482) is [(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane.
What is the SMILES notation for [(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane?
The canonical SMILES for [(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane is CC(C)[Si](OCCC/C=C/CCc1ccccc1)(C(C)C)C(C)C.
What is the InChIKey of [(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane?
The InChIKey is IIPXBDHMKHJHBA-BQYQJAHWSA-N. The full InChI is InChI=1S/C22H38OSi/c1-19(2)24(20(3)4,21(5)6)23-18-14-9-7-8-11-15-22-16-12-10-13-17-22/h7-8,10,12-13,16-17,19-21H,9,11,14-15,18H2,1-6H3/b8-7+.
What are the key properties of [(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane?
[(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane has a molecular weight of 346.63 g/mol, XLogP of 7.15, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7-phenylhept-4-enoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 86287482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).