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

C16H28O2Si — CID 134866038

IUPAC3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane
SMILESC=CC(=CC[Si](C)(C)C)[C@H]1C[C@@H](C=C)OC(C)(C)O1
InChIInChI=1S/C16H28O2Si/c1-8-13(10-11-19(5,6)7)15-12-14(9-2)17-16(3,4)18-15/h8-10,14-15H,1-2,11-12H2,3-7H3/t14-,15-/m1/s1
InChIKeyMIWZRBLRTWHLFQ-HUUCEWRRSA-N
MW280.48 g/mol
LogP4.53
Rot. Bonds5

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

3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane (PubChem CID 134866038) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is 3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane.

Molecular Properties

Compound Name3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane
PubChem CID134866038
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Name3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane
SMILESC=CC(=CC[Si](C)(C)C)[C@H]1C[C@@H](C=C)OC(C)(C)O1
InChIInChI=1S/C16H28O2Si/c1-8-13(10-11-19(5,6)7)15-12-14(9-2)17-16(3,4)18-15/h8-10,14-15H,1-2,11-12H2,3-7H3/t14-,15-/m1/s1
InChIKeyMIWZRBLRTWHLFQ-HUUCEWRRSA-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
[(E,2S)-2-methyl-4-[(4S,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane
CID 134863672
[(E,2S)-2-methyl-4-[(4R,5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]pent-3-enoxy]-tri(propan-2-yl)silane
CID 134863688
[(2E)-4-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl]-trimethylsilane
CID 134866062
[(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
4-ethyl-6-methyl-2-[(3E,5Z)-2-methylocta-3,5,7-trien-4-yl]-1,3-dioxane
CID 89284187
5-Ethoxy-1-ethyl-6-propan-2-yloxy-5-propoxycyclohexa-1,3-diene
CID 160334500
[(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

Frequently Asked Questions

What is the IUPAC name of 3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane?
The IUPAC name of 3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane (CID 134866038) is 3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane.
What is the SMILES notation for 3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane?
The canonical SMILES for 3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane is C=CC(=CC[Si](C)(C)C)[C@H]1C[C@@H](C=C)OC(C)(C)O1.
What is the InChIKey of 3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane?
The InChIKey is MIWZRBLRTWHLFQ-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-8-13(10-11-19(5,6)7)15-12-14(9-2)17-16(3,4)18-15/h8-10,14-15H,1-2,11-12H2,3-7H3/t14-,15-/m1/s1.
What are the key properties of 3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane?
3-[(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 3-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]penta-2,4-dienyl-trimethylsilane is sourced from PubChem (CID 134866038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).