[(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane

C16H28O2Si — CID 134866062

IUPAC[(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane
SMILESC=C[C@@H]1C[C@H](C(=C)/C=C/C[Si](C)(C)C)OC(C)(C)O1
InChIInChI=1S/C16H28O2Si/c1-8-14-12-15(18-16(3,4)17-14)13(2)10-9-11-19(5,6)7/h8-10,14-15H,1-2,11-12H2,3-7H3/b10-9+/t14-,15-/m1/s1
InChIKeyAPPRFPIOIAIQIT-SXKCSBRWSA-N
MW280.48 g/mol
LogP4.53
Rot. Bonds5

About [(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane

[(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane (PubChem CID 134866062) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is [(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane
PubChem CID134866062
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name[(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane
SMILESC=C[C@@H]1C[C@H](C(=C)/C=C/C[Si](C)(C)C)OC(C)(C)O1
InChIInChI=1S/C16H28O2Si/c1-8-14-12-15(18-16(3,4)17-14)13(2)10-9-11-19(5,6)7/h8-10,14-15H,1-2,11-12H2,3-7H3/b10-9+/t14-,15-/m1/s1
InChIKeyAPPRFPIOIAIQIT-SXKCSBRWSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

[(3aR,4S,7aR)-6-ethenyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 10935827
tert-butyl-[(2E,4Z)-6-[(4S,6R)-2,2-dimethyl-6-[(1E,3E,8R)-8-tri(propan-2-yl)silyloxynona-1,3-dienyl]-1,3-dioxan-4-yl]hexa-2,4-dienoxy]-dimethylsilane
CID 11444947
3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane
CID 134866038
[(3aR,4R,7aR)-6-ethenyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-yl]oxy-tert-butyl-dimethylsilane
CID 11023325
2-[[(2R,4S)-2-[(E)-4-(methoxymethoxy)but-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl-trimethylsilane
CID 11163278
[(2R,6E,8E)-9-[(4R,6S)-6-[(2Z,4E,6S,8E)-6-(2-methoxypropan-2-yloxy)-9-tributylstannylnona-2,4,8-trienyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-tri(propan-2-yl)silane
CID 11378013
trimethyl-[2-[[(2R,4S)-2-[(E)-prop-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane
CID 11448196
tert-butyl-[[(1R,5S,13S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane
CID 11461785
tert-butyl-[(2R,6E,8E)-9-[(4R,6S)-6-[(Z)-3-iodoprop-2-enyl]-2,2-dimethyl-1,3-dioxan-4-yl]nona-6,8-dien-2-yl]oxy-dimethylsilane
CID 11763205
tert-butyl-dimethyl-[[(2S,4R,7R)-2,4,9,11-tetramethyl-1,5-dioxaspiro[5.6]dodeca-8,10-dien-7-yl]oxy]silane
CID 101145364
tert-butyl-[[(1R,5S)-3,3-dimethyl-2,4-dioxatricyclo[7.3.1.05,13]trideca-6,8,11-trien-8-yl]oxy]-dimethylsilane
CID 101185213
trimethyl-[2-[[(2R,4S)-2-[(E)-non-1-enyl]-1,3-dioxan-4-yl]methyl]prop-2-enyl]silane
CID 101266056

Frequently Asked Questions

What is the IUPAC name of [(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane?
The IUPAC name of [(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane (CID 134866062) is [(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane.
What is the SMILES notation for [(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane?
The canonical SMILES for [(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane is C=C[C@@H]1C[C@H](C(=C)/C=C/C[Si](C)(C)C)OC(C)(C)O1.
What is the InChIKey of [(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane?
The InChIKey is APPRFPIOIAIQIT-SXKCSBRWSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-8-14-12-15(18-16(3,4)17-14)13(2)10-9-11-19(5,6)7/h8-10,14-15H,1-2,11-12H2,3-7H3/b10-9+/t14-,15-/m1/s1.
What are the key properties of [(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane?
[(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane has a molecular weight of 280.48 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane is sourced from PubChem (CID 134866062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).