[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane

C20H42OSi — CID 15652076

IUPAC[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@H](CCCC)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C20H42OSi/c1-11-13-14-19(12-2)20(15(3)4)21-22(16(5)6,17(7)8)18(9)10/h12,15-20H,2,11,13-14H2,1,3-10H3/t19-,20-/m1/s1
InChIKeyOIOXYNOFVJOSIK-WOJBJXKFSA-N
MW326.64 g/mol
LogP7.20
Rot. Bonds11

About [(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane

[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 15652076) has the molecular formula C20H42OSi and a molecular weight of 326.64 g/mol. Its IUPAC name is [(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID15652076
Molecular FormulaC20H42OSi
Molecular Weight326.64 g/mol
Exact Mass326.30
IUPAC Name[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane
SMILESC=C[C@H](CCCC)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)C
InChIInChI=1S/C20H42OSi/c1-11-13-14-19(12-2)20(15(3)4)21-22(16(5)6,17(7)8)18(9)10/h12,15-20H,2,11,13-14H2,1,3-10H3/t19-,20-/m1/s1
InChIKeyOIOXYNOFVJOSIK-WOJBJXKFSA-N
XLogP7.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.64
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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,5S,6S)-5-methoxy-2,6-dimethyloct-7-en-3-yl]oxy-dimethylsilane
CID 151528866
(3R,4S,5R)-2,2-ditert-butyl-3,4-dimethyl-5-prop-2-enyloxasilolane
CID 391575
6-(Fluoromethyl)non-1-en-4-yloxy-trimethylsilane
CID 54115950
6-(1-Fluoroethenyl)dec-1-en-4-yloxy-trimethylsilane
CID 57318195
6-(Fluoromethyl)dec-1-en-4-yloxy-trimethylsilane
CID 140333711
5-Allyl-2,2-ditert-butyl-3,4-dimethyl-oxasilolane
CID 496488
tert-butyl-dimethyl-[(4R)-undec-1-en-4-yl]oxysilane
CID 10850655
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214
tert-butyl-dimethyl-[(5S,6R)-6-(2-methylprop-1-enyl)decan-5-yl]oxysilane
CID 11077915
tert-butyl-dimethyl-[(4S)-2-methyl-6-methylideneoct-7-en-4-yl]oxysilane
CID 11196461
tert-butyl-dimethyl-[[(2S,3S,6S)-3-methyl-6-prop-2-enyloxan-2-yl]methoxy]silane
CID 11196881
tert-butyl-[(1S)-1-[(1R,2E)-cycloundec-2-en-1-yl]but-3-ynoxy]-dimethylsilane
CID 11232927

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane (CID 15652076) is [(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane is C=C[C@H](CCCC)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C(C)C.
What is the InChIKey of [(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is OIOXYNOFVJOSIK-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H42OSi/c1-11-13-14-19(12-2)20(15(3)4)21-22(16(5)6,17(7)8)18(9)10/h12,15-20H,2,11,13-14H2,1,3-10H3/t19-,20-/m1/s1.
What are the key properties of [(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane?
[(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 326.64 g/mol, XLogP of 7.20, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-ethenyl-2-methyloctan-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 15652076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).