[(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane

C22H31NOSi — CID 177203387

IUPAC[(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CCCCNC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NOSi/c1-22(2,3)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-19-12-10-11-17-23-18-19/h4-9,13-16,19,23H,10-12,17-18H2,1-3H3/t19-/m0/s1
InChIKeyPEROIOANEHNPFZ-IBGZPJMESA-N
MW353.58 g/mol
LogP3.71
Rot. Bonds4

About [(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane

[(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane (PubChem CID 177203387) has the molecular formula C22H31NOSi and a molecular weight of 353.58 g/mol. Its IUPAC name is [(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name[(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane
PubChem CID177203387
Molecular FormulaC22H31NOSi
Molecular Weight353.58 g/mol
Exact Mass353.22
IUPAC Name[(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](O[C@H]1CCCCNC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H31NOSi/c1-22(2,3)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-19-12-10-11-17-23-18-19/h4-9,13-16,19,23H,10-12,17-18H2,1-3H3/t19-/m0/s1
InChIKeyPEROIOANEHNPFZ-IBGZPJMESA-N
XLogP3.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
(4R)-4-[tert-butyl(diphenyl)silyl]oxypiperidin-2-one
CID 124674078
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane
CID 58800360
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792

Frequently Asked Questions

What is the IUPAC name of [(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane?
The IUPAC name of [(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane (CID 177203387) is [(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for [(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane?
The canonical SMILES for [(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](O[C@H]1CCCCNC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane?
The InChIKey is PEROIOANEHNPFZ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H31NOSi/c1-22(2,3)25(20-13-6-4-7-14-20,21-15-8-5-9-16-21)24-19-12-10-11-17-23-18-19/h4-9,13-16,19,23H,10-12,17-18H2,1-3H3/t19-/m0/s1.
What are the key properties of [(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane?
[(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane has a molecular weight of 353.58 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-azepan-3-yl]oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 177203387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).