triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane

C21H38O3Si — CID 11199420

IUPACtriethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane
SMILESCCC(=C/[C@H](C)CO[Si](CC)(CC)CC)/C=C/[C@H]1CC=C[C@H](OC)O1
InChIInChI=1S/C21H38O3Si/c1-7-19(14-15-20-12-11-13-21(22-6)24-20)16-18(5)17-23-25(8-2,9-3)10-4/h11,13-16,18,20-21H,7-10,12,17H2,1-6H3/b15-14+,19-16-/t18-,20+,21+/m0/s1
InChIKeySRZGSIKDMVMWFP-LJTBCYICSA-N
MW366.62 g/mol
LogP5.85
Rot. Bonds11

About triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane

triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane (PubChem CID 11199420) has the molecular formula C21H38O3Si and a molecular weight of 366.62 g/mol. Its IUPAC name is triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane.

Molecular Properties

Compound Nametriethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane
PubChem CID11199420
Molecular FormulaC21H38O3Si
Molecular Weight366.62 g/mol
Exact Mass366.26
IUPAC Nametriethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane
SMILESCCC(=C/[C@H](C)CO[Si](CC)(CC)CC)/C=C/[C@H]1CC=C[C@H](OC)O1
InChIInChI=1S/C21H38O3Si/c1-7-19(14-15-20-12-11-13-21(22-6)24-20)16-18(5)17-23-25(8-2,9-3)10-4/h11,13-16,18,20-21H,7-10,12,17H2,1-6H3/b15-14+,19-16-/t18-,20+,21+/m0/s1
InChIKeySRZGSIKDMVMWFP-LJTBCYICSA-N
XLogP5.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.62
LogP ≤ 55.85
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[[(2R,6S)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 9859945
[(3E,5E)-6-(2,2-dimethyl-1,3-dioxan-5-yl)-3-methylhexa-1,3,5-trien-2-yl]oxy-tri(propan-2-yl)silane
CID 11058013
tri(propan-2-yl)-[2-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]ethynyl]silane
CID 11267255
[(2S,3Z,5E)-4-bromo-2-methyl-6-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hexa-3,5-dienoxy]-tri(propan-2-yl)silane
CID 24740712
2-[(2R)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]ethynyl-tri(propan-2-yl)silane
CID 44556775
tert-butyl-[(2R,4E,6E)-2-[tert-butyl(dimethyl)silyl]oxy-5-methyl-7-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]hepta-4,6-dienoxy]-dimethylsilane
CID 49788316
tert-butyl-[(6-methoxy-3,6-dihydro-2H-pyran-2-yl)methoxy]-dimethylsilane
CID 85054611
tert-butyl-[[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 101768460
[(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
tert-butyl-[[(2S)-6-ethoxy-3,6-dihydro-2H-pyran-2-yl]methoxy]-dimethylsilane
CID 134972528
tert-butyl-[(3E)-4-[5-(methoxymethoxy)-2-methyl-1,3-dioxan-4-yl]buta-1,3-dien-2-yl]oxy-dimethylsilane
CID 134973048
triethyl-[(2S,3Z,5Z)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane
CID 134981916

Frequently Asked Questions

What is the IUPAC name of triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane?
The IUPAC name of triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane (CID 11199420) is triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane.
What is the SMILES notation for triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane?
The canonical SMILES for triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane is CCC(=C/[C@H](C)CO[Si](CC)(CC)CC)/C=C/[C@H]1CC=C[C@H](OC)O1.
What is the InChIKey of triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane?
The InChIKey is SRZGSIKDMVMWFP-LJTBCYICSA-N. The full InChI is InChI=1S/C21H38O3Si/c1-7-19(14-15-20-12-11-13-21(22-6)24-20)16-18(5)17-23-25(8-2,9-3)10-4/h11,13-16,18,20-21H,7-10,12,17H2,1-6H3/b15-14+,19-16-/t18-,20+,21+/m0/s1.
What are the key properties of triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane?
triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane has a molecular weight of 366.62 g/mol, XLogP of 5.85, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(2S,3Z,5E)-4-ethyl-6-[(2R,6R)-6-methoxy-3,6-dihydro-2H-pyran-2-yl]-2-methylhexa-3,5-dienoxy]silane is sourced from PubChem (CID 11199420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).