tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane

C23H42O4Si — CID 175882120

IUPACtert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane
SMILESC=CC[C@H]1C=C[C@H](OCOC)[C@H](/C(C)=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H42O4Si/c1-11-12-20-13-14-21(25-16-24-8)22(26-20)18(3)15-17(2)19(4)27-28(9,10)23(5,6)7/h11,13-15,17,19-22H,1,12,16H2,2-10H3/b18-15+/t17-,19-,20+,21+,22+/m1/s1
InChIKeyCSTWDEPLLZTXNN-IAVPOMCISA-N
MW410.67 g/mol
LogP5.87
Rot. Bonds10

About tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane (PubChem CID 175882120) has the molecular formula C23H42O4Si and a molecular weight of 410.67 g/mol. Its IUPAC name is tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane
PubChem CID175882120
Molecular FormulaC23H42O4Si
Molecular Weight410.67 g/mol
Exact Mass410.29
IUPAC Nametert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane
SMILESC=CC[C@H]1C=C[C@H](OCOC)[C@H](/C(C)=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C23H42O4Si/c1-11-12-20-13-14-21(25-16-24-8)22(26-20)18(3)15-17(2)19(4)27-28(9,10)23(5,6)7/h11,13-15,17,19-22H,1,12,16H2,2-10H3/b18-15+/t17-,19-,20+,21+,22+/m1/s1
InChIKeyCSTWDEPLLZTXNN-IAVPOMCISA-N
XLogP5.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.67
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane (CID 175882120) is tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane is C=CC[C@H]1C=C[C@H](OCOC)[C@H](/C(C)=C/[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane?
The InChIKey is CSTWDEPLLZTXNN-IAVPOMCISA-N. The full InChI is InChI=1S/C23H42O4Si/c1-11-12-20-13-14-21(25-16-24-8)22(26-20)18(3)15-17(2)19(4)27-28(9,10)23(5,6)7/h11,13-15,17,19-22H,1,12,16H2,2-10H3/b18-15+/t17-,19-,20+,21+,22+/m1/s1.
What are the key properties of tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 410.67 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R,3R)-5-[(2S,3S,6S)-3-(methoxymethoxy)-6-prop-2-enyl-3,6-dihydro-2H-pyran-2-yl]-3-methylhex-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 175882120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).