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

C20H25BrOSi — CID 142577121

IUPAC(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC1CC(Br)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25BrOSi/c1-20(2,3)23(18-10-6-4-7-11-18,19-12-8-5-9-13-19)22-17-14-16(21)15-17/h4-13,16-17H,14-15H2,1-3H3
InChIKeyLADNHVMEJDUDQP-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.49
Rot. Bonds4

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

(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane (PubChem CID 142577121) has the molecular formula C20H25BrOSi and a molecular weight of 389.41 g/mol. Its IUPAC name is (3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
PubChem CID142577121
Molecular FormulaC20H25BrOSi
Molecular Weight389.41 g/mol
Exact Mass388.09
IUPAC Name(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OC1CC(Br)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25BrOSi/c1-20(2,3)23(18-10-6-4-7-11-18,19-12-8-5-9-13-19)22-17-14-16(21)15-17/h4-13,16-17H,14-15H2,1-3H3
InChIKeyLADNHVMEJDUDQP-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
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
tert-butyl-diphenyl-[(3R)-pyrrolidin-3-yl]oxysilane
CID 58393504

Frequently Asked Questions

What is the IUPAC name of (3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane?
The IUPAC name of (3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane (CID 142577121) is (3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane.
What is the SMILES notation for (3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane?
The canonical SMILES for (3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OC1CC(Br)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane?
The InChIKey is LADNHVMEJDUDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrOSi/c1-20(2,3)23(18-10-6-4-7-11-18,19-12-8-5-9-13-19)22-17-14-16(21)15-17/h4-13,16-17H,14-15H2,1-3H3.
What are the key properties of (3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane?
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane has a molecular weight of 389.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 142577121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).