tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane

C24H30OSi — CID 10546631

IUPACtert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
SMILESC#CC/C(C)=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H30OSi/c1-6-14-21(2)15-13-20-25-26(24(3,4)5,22-16-9-7-10-17-22)23-18-11-8-12-19-23/h1,7-12,15-19H,13-14,20H2,2-5H3/b21-15+
InChIKeyDEYZDEULNBIZLW-RCCKNPSSSA-N
MW362.59 g/mol
LogP4.92
Rot. Bonds7

About tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane

tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane (PubChem CID 10546631) has the molecular formula C24H30OSi and a molecular weight of 362.59 g/mol. Its IUPAC name is tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
PubChem CID10546631
Molecular FormulaC24H30OSi
Molecular Weight362.59 g/mol
Exact Mass362.21
IUPAC Nametert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
SMILESC#CC/C(C)=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H30OSi/c1-6-14-21(2)15-13-20-25-26(24(3,4)5,22-16-9-7-10-17-22)23-18-11-8-12-19-23/h1,7-12,15-19H,13-14,20H2,2-5H3/b21-15+
InChIKeyDEYZDEULNBIZLW-RCCKNPSSSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.59
LogP ≤ 54.92
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol
CID 24773167
(E)-5-[tert-butyl(diphenyl)silyl]oxy-3-methylpent-2-en-1-ol
CID 135030069
tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
tert-butyl-but-3-ynoxy-diphenylsilane;but-3-yn-1-ol
CID 160529353
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane
CID 53375456
(3R)-1-[tert-butyl(diphenyl)silyl]oxyhex-5-yn-3-ol
CID 23624368
(E,4S)-9-[tert-butyl(diphenyl)silyl]oxynon-5-en-1-yn-4-ol
CID 11303939
tert-butyl-[(E)-6-iodohex-3-enoxy]-diphenylsilane
CID 11016054
(Z)-5-[tert-butyl(diphenyl)silyl]oxy-3-iodopent-2-en-1-ol
CID 59717822
tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
CID 135032541
tert-butyl-diphenyl-undec-10-enoxysilane
CID 25058521

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane (CID 10546631) is tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane is C#CC/C(C)=C/CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane?
The InChIKey is DEYZDEULNBIZLW-RCCKNPSSSA-N. The full InChI is InChI=1S/C24H30OSi/c1-6-14-21(2)15-13-20-25-26(24(3,4)5,22-16-9-7-10-17-22)23-18-11-8-12-19-23/h1,7-12,15-19H,13-14,20H2,2-5H3/b21-15+.
What are the key properties of tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane?
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane has a molecular weight of 362.59 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane is sourced from PubChem (CID 10546631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).