1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane

C22H28OSi — CID 142733105

IUPAC1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC12CC(C1)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28OSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-17-22-14-18(15-22)16-22/h4-13,18H,14-17H2,1-3H3
InChIKeyAWDHAWNKIGEVIW-UHFFFAOYSA-N
MW336.55 g/mol
LogP4.36
Rot. Bonds5

About 1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane

1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane (PubChem CID 142733105) has the molecular formula C22H28OSi and a molecular weight of 336.55 g/mol. Its IUPAC name is 1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane.

Molecular Properties

Compound Name1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
PubChem CID142733105
Molecular FormulaC22H28OSi
Molecular Weight336.55 g/mol
Exact Mass336.19
IUPAC Name1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane
SMILESCC(C)(C)[Si](OCC12CC(C1)C2)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H28OSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-17-22-14-18(15-22)16-22/h4-13,18H,14-17H2,1-3H3
InChIKeyAWDHAWNKIGEVIW-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

tert-butyl-[(2-methylthiiran-2-yl)methoxy]-diphenylsilane
CID 140876888
tert-butyl-[[(2S)-2-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 11290341
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813
methyl 4-[[tert-butyl(diphenyl)silyl]oxymethyl]bicyclo[2.2.2]octane-1-carboxylate
CID 142526845
tert-butyl-[[4-(2-methoxyethenyl)-1-bicyclo[2.2.1]heptanyl]methoxy]-diphenylsilane
CID 170737732
(E)-3-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-bicyclo[2.2.2]octanyl]prop-2-enoic acid
CID 160957767
tert-butyl-[[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,3-dimethoxycyclobutyl]methoxy]-diphenylsilane
CID 158489976
tert-butyl-[(3-ethynyloxetan-3-yl)methoxy]-diphenylsilane
CID 141485645
1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclohexane-1-carbaldehyde
CID 58018780
ethyl 2-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-fluorocyclopropane-1-carboxylate
CID 174055534
tert-butyl-[[(4R)-3,5-dimethyl-2-oxa-5-azabicyclo[2.2.1]heptan-1-yl]methoxy]-diphenylsilane
CID 157399412
tert-butyl-[[(2R,8S)-2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-diphenylsilane
CID 170897953

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane?
The IUPAC name of 1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane (CID 142733105) is 1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane.
What is the SMILES notation for 1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane?
The canonical SMILES for 1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane is CC(C)(C)[Si](OCC12CC(C1)C2)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane?
The InChIKey is AWDHAWNKIGEVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28OSi/c1-21(2,3)24(19-10-6-4-7-11-19,20-12-8-5-9-13-20)23-17-22-14-18(15-22)16-22/h4-13,18H,14-17H2,1-3H3.
What are the key properties of 1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane?
1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane has a molecular weight of 336.55 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.1]pentanylmethoxy-tert-butyl-diphenylsilane is sourced from PubChem (CID 142733105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).