tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane

C20H40O3Si — CID 10784517

IUPACtri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
SMILESC=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1COC(C)(C)O[C@H]1C
InChIInChI=1S/C20H40O3Si/c1-11-12-19(18-13-21-20(9,10)22-17(18)8)23-24(14(2)3,15(4)5)16(6)7/h11,14-19H,1,12-13H2,2-10H3/t17-,18-,19-/m0/s1
InChIKeyOYHBDTLKMFFMCX-FHWLQOOXSA-N
MW356.62 g/mol
LogP5.91
Rot. Bonds8

About tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane

tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane (PubChem CID 10784517) has the molecular formula C20H40O3Si and a molecular weight of 356.62 g/mol. Its IUPAC name is tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
PubChem CID10784517
Molecular FormulaC20H40O3Si
Molecular Weight356.62 g/mol
Exact Mass356.27
IUPAC Nametri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
SMILESC=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1COC(C)(C)O[C@H]1C
InChIInChI=1S/C20H40O3Si/c1-11-12-19(18-13-21-20(9,10)22-17(18)8)23-24(14(2)3,15(4)5)16(6)7/h11,14-19H,1,12-13H2,2-10H3/t17-,18-,19-/m0/s1
InChIKeyOYHBDTLKMFFMCX-FHWLQOOXSA-N
XLogP5.91
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.62
LogP ≤ 55.91
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'}

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Related Compounds

tert-butyl-[(3S,4R)-3-(methoxymethoxy)-4-methylhex-5-enoxy]-dimethylsilane
CID 15981704
tert-butyl-dimethyl-[(2S,3R)-3-methyl-1-(2-methyl-1,3-dioxolan-2-yl)pent-4-en-2-yl]oxysilane
CID 44220841
Tert-butyl-(3-ethenyloxan-4-yl)oxy-dimethylsilane
CID 58654193
triethyl-[[(4S)-4-methyl-4-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-3-yl]oxy]silane
CID 140743087
1,1,2-Triethoxy-2-ethyl-3-prop-2-enylsilinane
CID 174832473
tert-butyl-[(2R)-2-[(4S,6S)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxan-4-yl]propoxy]-dimethylsilane
CID 10404268
tri(propan-2-yl)-[(1R)-1-[(4R,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10498503
[(1S)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10500135
tert-butyl-[[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxan-4-yl]methoxy]-dimethylsilane
CID 10542271
[(1S)-1-[(4R,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10619947
tri(propan-2-yl)-[(1R)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane
CID 10642035
[(1R)-1-[(4S,5S)-2,2-dimethyl-4-prop-2-enyl-1,3-dioxan-5-yl]but-3-enoxy]-tri(propan-2-yl)silane
CID 10643650

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane?
The IUPAC name of tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane (CID 10784517) is tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane.
What is the SMILES notation for tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane?
The canonical SMILES for tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane is C=CC[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H]1COC(C)(C)O[C@H]1C.
What is the InChIKey of tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane?
The InChIKey is OYHBDTLKMFFMCX-FHWLQOOXSA-N. The full InChI is InChI=1S/C20H40O3Si/c1-11-12-19(18-13-21-20(9,10)22-17(18)8)23-24(14(2)3,15(4)5)16(6)7/h11,14-19H,1,12-13H2,2-10H3/t17-,18-,19-/m0/s1.
What are the key properties of tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane?
tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane has a molecular weight of 356.62 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(1S)-1-[(4S,5S)-2,2,4-trimethyl-1,3-dioxan-5-yl]but-3-enoxy]silane is sourced from PubChem (CID 10784517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).