tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane

C26H34F2O3Si — CID 172679891

IUPACtert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@]1(COC2CCCCO2)CC1(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34F2O3Si/c1-24(2,3)32(21-12-6-4-7-13-21,22-14-8-5-9-15-22)31-20-25(18-26(25,27)28)19-30-23-16-10-11-17-29-23/h4-9,12-15,23H,10-11,16-20H2,1-3H3/t23?,25-/m1/s1
InChIKeyAGDNUVPKGSIWQF-XSWBTSGESA-N
MW460.64 g/mol
LogP5.13
Rot. Bonds8

About tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane

tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane (PubChem CID 172679891) has the molecular formula C26H34F2O3Si and a molecular weight of 460.64 g/mol. Its IUPAC name is tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane
PubChem CID172679891
Molecular FormulaC26H34F2O3Si
Molecular Weight460.64 g/mol
Exact Mass460.22
IUPAC Nametert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OC[C@]1(COC2CCCCO2)CC1(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H34F2O3Si/c1-24(2,3)32(21-12-6-4-7-13-21,22-14-8-5-9-15-22)31-20-25(18-26(25,27)28)19-30-23-16-10-11-17-29-23/h4-9,12-15,23H,10-11,16-20H2,1-3H3/t23?,25-/m1/s1
InChIKeyAGDNUVPKGSIWQF-XSWBTSGESA-N
XLogP5.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.64
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane (CID 172679891) is tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane is CC(C)(C)[Si](OC[C@]1(COC2CCCCO2)CC1(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane?
The InChIKey is AGDNUVPKGSIWQF-XSWBTSGESA-N. The full InChI is InChI=1S/C26H34F2O3Si/c1-24(2,3)32(21-12-6-4-7-13-21,22-14-8-5-9-15-22)31-20-25(18-26(25,27)28)19-30-23-16-10-11-17-29-23/h4-9,12-15,23H,10-11,16-20H2,1-3H3/t23?,25-/m1/s1.
What are the key properties of tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane?
tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane has a molecular weight of 460.64 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(1R)-2,2-difluoro-1-(oxan-2-yloxymethyl)cyclopropyl]methoxy]-diphenylsilane is sourced from PubChem (CID 172679891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).