tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane

C23H44O4Si — CID 23254440

IUPACtert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
SMILESCO[C@H]1C[C@H](OC/C=C(\C)CCC=C(C)C)O[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O4Si/c1-17(2)12-11-13-18(3)14-15-25-21-16-20(24-8)22(19(4)26-21)27-28(9,10)23(5,6)7/h12,14,19-22H,11,13,15-16H2,1-10H3/b18-14+/t19-,20-,21+,22-/m0/s1
InChIKeyNOYFHGMNHDYFDU-MQGCCJEUSA-N
MW412.69 g/mol
LogP6.24
Rot. Bonds9

About tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane (PubChem CID 23254440) has the molecular formula C23H44O4Si and a molecular weight of 412.69 g/mol. Its IUPAC name is tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
PubChem CID23254440
Molecular FormulaC23H44O4Si
Molecular Weight412.69 g/mol
Exact Mass412.30
IUPAC Nametert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane
SMILESCO[C@H]1C[C@H](OC/C=C(\C)CCC=C(C)C)O[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C23H44O4Si/c1-17(2)12-11-13-18(3)14-15-25-21-16-20(24-8)22(19(4)26-21)27-28(9,10)23(5,6)7/h12,14,19-22H,11,13,15-16H2,1-10H3/b18-14+/t19-,20-,21+,22-/m0/s1
InChIKeyNOYFHGMNHDYFDU-MQGCCJEUSA-N
XLogP6.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.69
LogP ≤ 56.24
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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Related Compounds

[(6S,6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl]oxy-tert-butyl-dimethylsilane
CID 44598795
tert-Butyl-{2-[3-(2-methoxyethoxymethoxy)-6-propenyltetrahydropyran-2-yl)]ethoxy}dimethylsilane
CID 46894695
2-[2-(tert-Butyldimethylsilanyloxy)ethyl]-6-[6-(tert-butyldimethylsilanyloxyhept-1-en 3-(2-methoxyethoxymethoxy)tetrahydropyran
CID 46894696
tert-butyl-[(1R,2R,3E,6Z)-1-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-2,4,6-trimethyl-8-(oxan-2-yloxy)octa-3,6-dienoxy]-dimethylsilane
CID 53329190
tert-butyl-[(1R,2S,6S)-2-methoxy-6-(methoxymethoxy)-3-trimethylsilyloxycyclohex-3-en-1-yl]oxy-dimethylsilane
CID 134836950
tert-butyl-[(1R,2R,3E,6S)-3-ethylidene-2-methoxy-6-(methoxymethoxy)cyclohexyl]oxy-dimethylsilane
CID 134837047
[3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-[[(5S,6S)-5-(methoxymethoxy)-2,2-dimethyl-3-tridecyl-5,6-dihydrooxasilin-6-yl]methoxy]oxan-4-yl]oxy-tert-butyl-dimethylsilane
CID 134846021
[(2S,3Z,5E)-2,4-dimethyl-6-[(2R,6R)-6-propan-2-yloxyoxan-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
CID 134887217
[(6R,6aR,8R,9R,10aS,10bR)-8,9-dimethoxy-2,2,8,9-tetramethyl-6,6a,10a,10b-tetrahydro-4H-[1,4]dioxino[2,3-h][1,3]benzodioxin-6-yl]oxy-tert-butyl-dimethylsilane
CID 135013965
allyl(-2)[allyl(-3)][allyl(-4)][TBDMS(-6)]Glc-O-iPr
CID 146018811
tert-butyl-[(7E,11E)-7,11-dimethyl-13-(oxan-2-yloxy)trideca-7,11-dien-2-yn-4-yl]oxy-dimethylsilane
CID 15726383
Tert-butyl-[2-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]-4-(oxan-2-yloxy)cyclopent-2-en-1-yl]oxy-dimethylsilane
CID 12692820

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane (CID 23254440) is tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane is CO[C@H]1C[C@H](OC/C=C(\C)CCC=C(C)C)O[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is NOYFHGMNHDYFDU-MQGCCJEUSA-N. The full InChI is InChI=1S/C23H44O4Si/c1-17(2)12-11-13-18(3)14-15-25-21-16-20(24-8)22(19(4)26-21)27-28(9,10)23(5,6)7/h12,14,19-22H,11,13,15-16H2,1-10H3/b18-14+/t19-,20-,21+,22-/m0/s1.
What are the key properties of tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 412.69 g/mol, XLogP of 6.24, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S,4S,6R)-6-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-methoxy-2-methyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 23254440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).