tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane

C26H38OSi — CID 58800360

IUPACtert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane
SMILESCCCCC1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C26H38OSi/c1-5-6-14-22-15-13-16-23(21-22)27-28(26(2,3)4,24-17-9-7-10-18-24)25-19-11-8-12-20-25/h7-12,17-20,22-23H,5-6,13-16,21H2,1-4H3
InChIKeyDLANMXWPMLZHKK-UHFFFAOYSA-N
MW394.68 g/mol
LogP6.31
Rot. Bonds7

About tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane

tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane (PubChem CID 58800360) has the molecular formula C26H38OSi and a molecular weight of 394.68 g/mol. Its IUPAC name is tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane
PubChem CID58800360
Molecular FormulaC26H38OSi
Molecular Weight394.68 g/mol
Exact Mass394.27
IUPAC Nametert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane
SMILESCCCCC1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1
InChIInChI=1S/C26H38OSi/c1-5-6-14-22-15-13-16-23(21-22)27-28(26(2,3)4,24-17-9-7-10-18-24)25-19-11-8-12-20-25/h7-12,17-20,22-23H,5-6,13-16,21H2,1-4H3
InChIKeyDLANMXWPMLZHKK-UHFFFAOYSA-N
XLogP6.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.68
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butanoic acid
CID 69240889
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
tert-butyl 4-[(1R,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2-dimethylbutanoate
CID 69241608
tert-butyl 4-[3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2,2-dimethylbutanoate
CID 21082808
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
2-[(1S,2S)-2-[tert-butyl(diphenyl)silyl]oxycyclopentyl]acetic acid
CID 68922385
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
2-[(1S,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920538
2-[2-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetic acid
CID 68920543
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane?
The IUPAC name of tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane (CID 58800360) is tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane.
What is the SMILES notation for tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane?
The canonical SMILES for tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane is CCCCC1CCCC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C1.
What is the InChIKey of tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane?
The InChIKey is DLANMXWPMLZHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38OSi/c1-5-6-14-22-15-13-16-23(21-22)27-28(26(2,3)4,24-17-9-7-10-18-24)25-19-11-8-12-20-25/h7-12,17-20,22-23H,5-6,13-16,21H2,1-4H3.
What are the key properties of tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane?
tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane has a molecular weight of 394.68 g/mol, XLogP of 6.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane is sourced from PubChem (CID 58800360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).