tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane

C25H34O3Si — CID 135019979

IUPACtert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
SMILESC=CC[C@@H]1OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O3Si/c1-7-14-22-23(28-25(5,6)27-22)19-26-29(24(2,3)4,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h7-13,15-18,22-23H,1,14,19H2,2-6H3/t22-,23-/m0/s1
InChIKeySNMCRTAPDPBRSD-GOTSBHOMSA-N
MW410.63 g/mol
LogP4.66
Rot. Bonds7

About tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane

tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane (PubChem CID 135019979) has the molecular formula C25H34O3Si and a molecular weight of 410.63 g/mol. Its IUPAC name is tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
PubChem CID135019979
Molecular FormulaC25H34O3Si
Molecular Weight410.63 g/mol
Exact Mass410.23
IUPAC Nametert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
SMILESC=CC[C@@H]1OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C25H34O3Si/c1-7-14-22-23(28-25(5,6)27-22)19-26-29(24(2,3)4,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h7-13,15-18,22-23H,1,14,19H2,2-6H3/t22-,23-/m0/s1
InChIKeySNMCRTAPDPBRSD-GOTSBHOMSA-N
XLogP4.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.63
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-Butyl((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)diphenylsilane
CID 3288786
tert-butyl-[(2S)-1-[(2R)-oxolan-2-yl]propan-2-yl]oxy-diphenylsilane
CID 15249300
Tert-butyl-[6-(1,3-dioxolan-2-yl)hex-3-ynoxy]-diphenylsilane
CID 85648296
[(4S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 10408712
tert-butyl(diphenyl)silyl (2S)-2,3-dihydro-2-furanylmethyl ether
CID 10617007
1-(((4S)-2,2-Dimethyl(1,3-dioxolan-4-yl))methoxy)-2,2-dimethyl-1,1-diphenyl-1-silapropane
CID 10714242
methyl 5-O-t-butyldiphenylsilyl-2-deoxy-d-erythro-pentofuranoside
CID 11047329
[2-[Dimethyl(phenyl)silyl]-1,3-dioxolan-2-yl]-dimethyl-phenylsilane
CID 11110658
tert-butyl-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane
CID 14044782
tert-butyl-[[(2R,3S)-3-methyloxiran-2-yl]methoxy]-diphenylsilane
CID 14197271
(3S,5S)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolan-3-ol
CID 24755864
tert-butyl-[[(8R)-9,9-dimethyl-1,4-dioxaspiro[4.5]dec-6-en-8-yl]oxy]-diphenylsilane
CID 57734346

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane (CID 135019979) is tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane is C=CC[C@@H]1OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
The InChIKey is SNMCRTAPDPBRSD-GOTSBHOMSA-N. The full InChI is InChI=1S/C25H34O3Si/c1-7-14-22-23(28-25(5,6)27-22)19-26-29(24(2,3)4,20-15-10-8-11-16-20)21-17-12-9-13-18-21/h7-13,15-18,22-23H,1,14,19H2,2-6H3/t22-,23-/m0/s1.
What are the key properties of tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane?
tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane has a molecular weight of 410.63 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(4S,5S)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 135019979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).