3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane

C22H28OSi — CID 154401251

IUPAC3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC1CC2CC2C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28OSi/c1-22(2,3)24(20-10-6-4-7-11-20,21-12-8-5-9-13-21)23-19-15-17-14-18(17)16-19/h4-13,17-19H,14-16H2,1-3H3
InChIKeyOQZGBAPNSDNBEO-UHFFFAOYSA-N
MW336.55 g/mol
LogP4.36
Rot. Bonds4

About 3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane

3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane (PubChem CID 154401251) has the molecular formula C22H28OSi and a molecular weight of 336.55 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
PubChem CID154401251
Molecular FormulaC22H28OSi
Molecular Weight336.55 g/mol
Exact Mass336.19
IUPAC Name3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC1CC2CC2C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28OSi/c1-22(2,3)24(20-10-6-4-7-11-20,21-12-8-5-9-13-21)23-19-15-17-14-18(17)16-19/h4-13,17-19H,14-16H2,1-3H3
InChIKeyOQZGBAPNSDNBEO-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.36
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

3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
4-[tert-butyl(diphenyl)silyl]oxy-2-methylcyclopentan-1-amine
CID 142751894
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
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453
2-[(2R,6R)-4-[tert-butyl(diphenyl)silyl]oxy-6-(2-hydroxypropan-2-yl)oxan-2-yl]propan-2-ol
CID 11977280
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919
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 3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane?
The IUPAC name of 3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane (CID 154401251) is 3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC1CC2CC2C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane?
The InChIKey is OQZGBAPNSDNBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28OSi/c1-22(2,3)24(20-10-6-4-7-11-20,21-12-8-5-9-13-21)23-19-15-17-14-18(17)16-19/h4-13,17-19H,14-16H2,1-3H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane?
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane has a molecular weight of 336.55 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 154401251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).