tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane

C20H32O4Si — CID 11382951

IUPACtert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](COCc2ccccc2)O[C@@]2(C)O[C@@H]12
InChIInChI=1S/C20H32O4Si/c1-19(2,3)25(5,6)24-17-12-16(22-20(4)18(17)23-20)14-21-13-15-10-8-7-9-11-15/h7-11,16-18H,12-14H2,1-6H3/t16-,17-,18+,20+/m1/s1
InChIKeyJABYRMBDJREMNS-XSYGEPLQSA-N
MW364.56 g/mol
LogP4.50
Rot. Bonds6

About tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane

tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane (PubChem CID 11382951) has the molecular formula C20H32O4Si and a molecular weight of 364.56 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
PubChem CID11382951
Molecular FormulaC20H32O4Si
Molecular Weight364.56 g/mol
Exact Mass364.21
IUPAC Nametert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](COCc2ccccc2)O[C@@]2(C)O[C@@H]12
InChIInChI=1S/C20H32O4Si/c1-19(2,3)25(5,6)24-17-12-16(22-20(4)18(17)23-20)14-21-13-15-10-8-7-9-11-15/h7-11,16-18H,12-14H2,1-6H3/t16-,17-,18+,20+/m1/s1
InChIKeyJABYRMBDJREMNS-XSYGEPLQSA-N
XLogP4.50
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane with MolForge

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Related Compounds

tert-butyl-dimethyl-[(2R,3R,5R)-2-[(E)-pent-2-enyl]-5-(phenylmethoxymethyl)oxolan-3-yl]oxysilane
CID 53350176
2-[(4S,6S)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethanol
CID 25058663
tert-butyl-[2-[(4S,6R)-2,2-dimethyl-6-(phenylmethoxymethyl)-1,3-dioxan-4-yl]ethoxy]-diphenylsilane
CID 11214535
(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
(3R,4S,5S,6R)-3,6-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-bis(phenylmethoxy)cycloheptan-1-ol
CID 101106224
[(4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-(phenylmethoxymethyl)cyclopenten-1-yl]methanol
CID 68839728
tert-butyl-dimethyl-[[(2S,4R,5S)-4-phenylmethoxy-5-[(2S,5S)-5-(phenylmethoxymethyl)oxolan-2-yl]oxolan-2-yl]methoxy]silane
CID 102251588
2-[(1R,3S,5R,6S,8R,10S,12R,13S)-5-[tert-butyl(dimethyl)silyl]oxy-8,10-dimethyl-13-phenylmethoxy-12-(phenylmethoxymethyl)-2,7,11-trioxatricyclo[8.4.0.03,8]tetradecan-6-yl]acetic acid
CID 16720254
tert-butyl-[[(2R,4S,5S,6R)-4,5-dibromo-6-(phenylmethoxymethyl)oxan-2-yl]methoxy]-dimethylsilane
CID 10505813
methyl (E)-4-[(2R,3S,4aR,6S,8S,8aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-8-phenylmethoxy-6-(phenylmethoxymethyl)-4,4a,6,7,8,8a-hexahydro-3H-pyrano[3,2-b]pyran-2-yl]but-2-enoate
CID 11966508
tert-butyl-diphenyl-[[(2R,4S)-4-(phenylmethoxymethyl)oxetan-2-yl]methyl]silane
CID 102506117
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-5-phenylmethoxycyclohexyl]oxy-dimethylsilane
CID 67591786

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane (CID 11382951) is tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](COCc2ccccc2)O[C@@]2(C)O[C@@H]12.
What is the InChIKey of tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane?
The InChIKey is JABYRMBDJREMNS-XSYGEPLQSA-N. The full InChI is InChI=1S/C20H32O4Si/c1-19(2,3)25(5,6)24-17-12-16(22-20(4)18(17)23-20)14-21-13-15-10-8-7-9-11-15/h7-11,16-18H,12-14H2,1-6H3/t16-,17-,18+,20+/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane?
tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane has a molecular weight of 364.56 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(1S,3R,5R,6S)-1-methyl-3-(phenylmethoxymethyl)-2,7-dioxabicyclo[4.1.0]heptan-5-yl]oxy]silane is sourced from PubChem (CID 11382951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).