tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane

C19H38O4Si — CID 10522427

IUPACtert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)[C@@H](CC1C[C@@H](OC)O[C@H](OC)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-10-14(2)16(23-24(8,9)19(3,4)5)11-15-12-17(20-6)22-18(13-15)21-7/h10,14-18H,1,11-13H2,2-9H3/t14-,16-,17+,18+/m1/s1
InChIKeyGSXQGTCGDJLZRX-BGTYHANMSA-N
MW358.60 g/mol
LogP4.96
Rot. Bonds8

About tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane (PubChem CID 10522427) has the molecular formula C19H38O4Si and a molecular weight of 358.60 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane
PubChem CID10522427
Molecular FormulaC19H38O4Si
Molecular Weight358.60 g/mol
Exact Mass358.25
IUPAC Nametert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane
SMILESC=C[C@@H](C)[C@@H](CC1C[C@@H](OC)O[C@H](OC)C1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H38O4Si/c1-10-14(2)16(23-24(8,9)19(3,4)5)11-15-12-17(20-6)22-18(13-15)21-7/h10,14-18H,1,11-13H2,2-9H3/t14-,16-,17+,18+/m1/s1
InChIKeyGSXQGTCGDJLZRX-BGTYHANMSA-N
XLogP4.96
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane (CID 10522427) is tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane is C=C[C@@H](C)[C@@H](CC1C[C@@H](OC)O[C@H](OC)C1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane?
The InChIKey is GSXQGTCGDJLZRX-BGTYHANMSA-N. The full InChI is InChI=1S/C19H38O4Si/c1-10-14(2)16(23-24(8,9)19(3,4)5)11-15-12-17(20-6)22-18(13-15)21-7/h10,14-18H,1,11-13H2,2-9H3/t14-,16-,17+,18+/m1/s1.
What are the key properties of tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane has a molecular weight of 358.60 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-1-[(2S,6S)-2,6-dimethoxyoxan-4-yl]-3-methylpent-4-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 10522427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).