tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane

C29H40OSi — CID 175936274

IUPACtert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC1CCC(=C2CCCCC2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H40OSi/c1-29(2,3)31(27-15-9-5-10-16-27,28-17-11-6-12-18-28)30-23-24-19-21-26(22-20-24)25-13-7-4-8-14-25/h5-6,9-12,15-18,24H,4,7-8,13-14,19-23H2,1-3H3
InChIKeyLZXNTBMJFNVRAA-UHFFFAOYSA-N
MW432.72 g/mol
LogP7.01
Rot. Bonds5

About tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane

tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane (PubChem CID 175936274) has the molecular formula C29H40OSi and a molecular weight of 432.72 g/mol. Its IUPAC name is tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
PubChem CID175936274
Molecular FormulaC29H40OSi
Molecular Weight432.72 g/mol
Exact Mass432.28
IUPAC Nametert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCC1CCC(=C2CCCCC2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H40OSi/c1-29(2,3)31(27-15-9-5-10-16-27,28-17-11-6-12-18-28)30-23-24-19-21-26(22-20-24)25-13-7-4-8-14-25/h5-6,9-12,15-18,24H,4,7-8,13-14,19-23H2,1-3H3
InChIKeyLZXNTBMJFNVRAA-UHFFFAOYSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.72
LogP ≤ 57.01
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'}

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Related Compounds

tert-butyl-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexyl]methoxy]-diphenylsilane
CID 102242282
tert-butyl-[(4-ethenylcyclohexyl)methoxy]-diphenylsilane
CID 156858499
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-one
CID 14862243
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782
tert-butyl-[[(2S)-oxolan-2-yl]methoxy]-diphenylsilane
CID 56616386
cis-(2R,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409596
trans-(2S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 129409597
tert-butyl-[[(1S)-3-isocyanocyclopentyl]methoxy]-diphenylsilane
CID 159922386
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylcyclohexan-1-one
CID 90317821

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane (CID 175936274) is tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane is CC(C)(C)[Si](OCC1CCC(=C2CCCCC2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane?
The InChIKey is LZXNTBMJFNVRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40OSi/c1-29(2,3)31(27-15-9-5-10-16-27,28-17-11-6-12-18-28)30-23-24-19-21-26(22-20-24)25-13-7-4-8-14-25/h5-6,9-12,15-18,24H,4,7-8,13-14,19-23H2,1-3H3.
What are the key properties of tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane?
tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane has a molecular weight of 432.72 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4-cyclohexylidenecyclohexyl)methoxy]-diphenylsilane is sourced from PubChem (CID 175936274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).