tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane

C30H44O5Si — CID 11203055

IUPACtert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane
SMILESC=CC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCOC)[C@@H](OC)C1(C)C
InChIInChI=1S/C30H44O5Si/c1-9-16-26-30(5,6)28(32-8)27(33-22-31-7)25(35-26)21-34-36(29(2,3)4,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h9-15,17-20,25-28H,1,16,21-22H2,2-8H3/t25-,26-,27+,28-/m1/s1
InChIKeyZMOZANAIHRIPIH-ZZXHUEHTSA-N
MW512.76 g/mol
LogP4.94
Rot. Bonds11

About tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane

tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane (PubChem CID 11203055) has the molecular formula C30H44O5Si and a molecular weight of 512.76 g/mol. Its IUPAC name is tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane
PubChem CID11203055
Molecular FormulaC30H44O5Si
Molecular Weight512.76 g/mol
Exact Mass512.30
IUPAC Nametert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane
SMILESC=CC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCOC)[C@@H](OC)C1(C)C
InChIInChI=1S/C30H44O5Si/c1-9-16-26-30(5,6)28(32-8)27(33-22-31-7)25(35-26)21-34-36(29(2,3)4,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h9-15,17-20,25-28H,1,16,21-22H2,2-8H3/t25-,26-,27+,28-/m1/s1
InChIKeyZMOZANAIHRIPIH-ZZXHUEHTSA-N
XLogP4.94
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.76
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl-[[(2S,3S,6R,11R)-3,11-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 10321645
tert-butyl-[[(2S,5R,6S)-5-methoxy-1,7-dioxaspiro[5.5]undecan-2-yl]methoxy]-diphenylsilane
CID 11134205
(2S,4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974074
(2S,4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxy-3,3-dimethyloxan-4-ol
CID 11974075
(2R,3S,4S)-1-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-3-(methoxymethoxy)-5,5-dimethylhept-6-en-2-ol
CID 11386213
(Z,4R)-4-[tert-butyl(diphenyl)silyl]oxy-4-[(1R,4S,6R)-6-(methoxymethoxy)-4-(methoxymethyl)cyclohex-2-en-1-yl]but-2-en-1-ol
CID 11511823
[(2R)-2-[(4R,5S,6S)-6-[(2S)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]propoxy]-tert-butyl-diphenylsilane
CID 14683914
tert-butyl-[(2R,3R,4S)-4-methoxy-2,3-bis(methoxymethoxy)-5,5-dimethylhept-6-enoxy]-diphenylsilane
CID 16103301
[(4S,6S)-6-[(2R)-but-3-en-2-yl]-2,2-dimethyl-1,3-dioxan-4-yl]methoxy-tert-butyl-diphenylsilane
CID 23635572
(E,4R)-4-[(4S,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxan-4-yl]pent-2-enal
CID 23635573
[6-(6-Allyl-4-methoxymethoxy-tetrahydro-pyran-2-yl)-3-methoxy-5-methyl-1-propyl-hexyloxy]-tert-butyl-diphenyl-silane
CID 46844933
tert-butyl-diphenyl-[[(4R,5R,6S)-2,2,5-trimethyl-6-[(2S)-4-trimethylsilylbut-3-yn-2-yl]-1,3-dioxan-4-yl]methoxy]silane
CID 51002642

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane (CID 11203055) is tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane is C=CC[C@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](OCOC)[C@@H](OC)C1(C)C.
What is the InChIKey of tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane?
The InChIKey is ZMOZANAIHRIPIH-ZZXHUEHTSA-N. The full InChI is InChI=1S/C30H44O5Si/c1-9-16-26-30(5,6)28(32-8)27(33-22-31-7)25(35-26)21-34-36(29(2,3)4,23-17-12-10-13-18-23)24-19-14-11-15-20-24/h9-15,17-20,25-28H,1,16,21-22H2,2-8H3/t25-,26-,27+,28-/m1/s1.
What are the key properties of tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane?
tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane has a molecular weight of 512.76 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[(2R,3R,4S,6R)-4-methoxy-3-(methoxymethoxy)-5,5-dimethyl-6-prop-2-enyloxan-2-yl]methoxy]-diphenylsilane is sourced from PubChem (CID 11203055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).