4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol

C42H58N2O4Si2 — CID 159197453

IUPAC4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
SMILESCC(C)(C)[Si](OC1CC(N)C(N)C1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OC1CC(O)C(O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30N2OSi.C21H28O3Si/c2*1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-14-19(22)20(23)15-16/h4-13,16,19-20H,14-15,22-23H2,1-3H3;4-13,16,19-20,22-23H,14-15H2,1-3H3
InChIKeyKOVQPWHPIRJEFT-UHFFFAOYSA-N
MW711.11 g/mol
LogP4.83
Rot. Bonds8

About 4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol

4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol (PubChem CID 159197453) has the molecular formula C42H58N2O4Si2 and a molecular weight of 711.11 g/mol. Its IUPAC name is 4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol.

Molecular Properties

Compound Name4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
PubChem CID159197453
Molecular FormulaC42H58N2O4Si2
Molecular Weight711.11 g/mol
Exact Mass710.39
IUPAC Name4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
SMILESCC(C)(C)[Si](OC1CC(N)C(N)C1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OC1CC(O)C(O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H30N2OSi.C21H28O3Si/c2*1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-14-19(22)20(23)15-16/h4-13,16,19-20H,14-15,22-23H2,1-3H3;4-13,16,19-20,22-23H,14-15H2,1-3H3
InChIKeyKOVQPWHPIRJEFT-UHFFFAOYSA-N
XLogP4.83
TPSA110.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500711.11
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol
CID 11977280
tert-butyl-[[(1R,5S)-8-oxabicyclo[3.2.1]oct-6-en-3-yl]oxy]-diphenylsilane
CID 102008296
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
cis-methyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 58715061
methyl 3,5-bis[[tert-butyl(diphenyl)silyl]oxy]cyclohexane-1-carboxylate
CID 21062599
(1R,2R,3aR,5S,6aS)-5-[tert-butyl(diphenyl)silyl]oxy-1-[(1R)-2,2,2-trichloro-1-hydroxyethyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-ol
CID 101261117

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol?
The IUPAC name of 4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol (CID 159197453) is 4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol.
What is the SMILES notation for 4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol?
The canonical SMILES for 4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol is CC(C)(C)[Si](OC1CC(N)C(N)C1)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](OC1CC(O)C(O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol?
The InChIKey is KOVQPWHPIRJEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2OSi.C21H28O3Si/c2*1-21(2,3)25(17-10-6-4-7-11-17,18-12-8-5-9-13-18)24-16-14-19(22)20(23)15-16/h4-13,16,19-20H,14-15,22-23H2,1-3H3;4-13,16,19-20,22-23H,14-15H2,1-3H3.
What are the key properties of 4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol?
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol has a molecular weight of 711.11 g/mol, XLogP of 4.83, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol is sourced from PubChem (CID 159197453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).