tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane

C27H40OSi — CID 135032541

IUPACtert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
SMILESCCCCCCC/C=C(\C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40OSi/c1-6-7-8-9-10-13-18-24(2)23-28-29(27(3,4)5,25-19-14-11-15-20-25)26-21-16-12-17-22-26/h11-12,14-22H,6-10,13,23H2,1-5H3/b24-18+
InChIKeyDQYFXNVFIQIBBN-HKOYGPOVSA-N
MW408.70 g/mol
LogP6.87
Rot. Bonds11

About tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane

tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane (PubChem CID 135032541) has the molecular formula C27H40OSi and a molecular weight of 408.70 g/mol. Its IUPAC name is tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
PubChem CID135032541
Molecular FormulaC27H40OSi
Molecular Weight408.70 g/mol
Exact Mass408.28
IUPAC Nametert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane
SMILESCCCCCCC/C=C(\C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H40OSi/c1-6-7-8-9-10-13-18-24(2)23-28-29(27(3,4)5,25-19-14-11-15-20-25)26-21-16-12-17-22-26/h11-12,14-22H,6-10,13,23H2,1-5H3/b24-18+
InChIKeyDQYFXNVFIQIBBN-HKOYGPOVSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.70
LogP ≤ 56.87
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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Related Compounds

tert-butyl-[(Z)-2-methylhex-2-enoxy]-diphenylsilane
CID 71217058
(E)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]non-3-en-2-ol
CID 56652865
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380
tert-butyl-[(E)-heptadec-4-enoxy]-diphenylsilane
CID 11123858
O-[(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl]hydroxylamine
CID 24808385
tert-butyl-heptatriaconta-23,26-dienoxy-diphenylsilane
CID 69009078
tert-butyl-[(Z,6S)-6-methoxy-2-methyloct-2-en-7-ynoxy]-diphenylsilane
CID 53375456
[4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-enyl] dihydrogen phosphate
CID 175564241
tert-butyl-[(E)-dec-5-enoxy]-diphenylsilane
CID 11188599
3-[tert-butyl(diphenyl)silyl]oxy-2-[(Z)-hexadec-1-enoxy]propan-1-ol
CID 11028057
tert-butyl-[(5Z,8Z,11E,14E)-6,9-difluoroicosa-5,8,11,14-tetraenoxy]-diphenylsilane
CID 23168652
tert-butyl-[(E)-4-methylhept-3-en-6-ynoxy]-diphenylsilane
CID 10546631

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane (CID 135032541) is tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane is CCCCCCC/C=C(\C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane?
The InChIKey is DQYFXNVFIQIBBN-HKOYGPOVSA-N. The full InChI is InChI=1S/C27H40OSi/c1-6-7-8-9-10-13-18-24(2)23-28-29(27(3,4)5,25-19-14-11-15-20-25)26-21-16-12-17-22-26/h11-12,14-22H,6-10,13,23H2,1-5H3/b24-18+.
What are the key properties of tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane?
tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane has a molecular weight of 408.70 g/mol, XLogP of 6.87, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E)-2-methyldec-2-enoxy]-diphenylsilane is sourced from PubChem (CID 135032541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).