(3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane

C22H42OSi — CID 101474218

IUPAC(3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane
SMILESC/C=C1\[C@@H](C2CCCCC2)[C@H](C(C)C)O[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H42OSi/c1-10-18-19(17-14-12-11-13-15-17)20(16(2)3)23-24(18,21(4,5)6)22(7,8)9/h10,16-17,19-20H,11-15H2,1-9H3/b18-10+/t19-,20+/m1/s1
InChIKeyUKBFHJVAKJGYPU-RYOJLJCYSA-N
MW350.66 g/mol
LogP7.27
Rot. Bonds2

About (3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane

(3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane (PubChem CID 101474218) has the molecular formula C22H42OSi and a molecular weight of 350.66 g/mol. Its IUPAC name is (3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane.

Molecular Properties

Compound Name(3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane
PubChem CID101474218
Molecular FormulaC22H42OSi
Molecular Weight350.66 g/mol
Exact Mass350.30
IUPAC Name(3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane
SMILESC/C=C1\[C@@H](C2CCCCC2)[C@H](C(C)C)O[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C22H42OSi/c1-10-18-19(17-14-12-11-13-15-17)20(16(2)3)23-24(18,21(4,5)6)22(7,8)9/h10,16-17,19-20H,11-15H2,1-9H3/b18-10+/t19-,20+/m1/s1
InChIKeyUKBFHJVAKJGYPU-RYOJLJCYSA-N
XLogP7.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.66
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane with MolForge

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Related Compounds

(Cyclohexyl(4-fluorocyclohex-3-enyl)methoxy)triethylsilane
CID 131747135
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
[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
tert-butyl-[(E,1S,2R)-1-cyclohexyl-2-methyltridec-5-en-3-ynoxy]-dimethylsilane
CID 101168210
(3E)-4-butyl-2,2-ditert-butyl-5,5-diethyl-3-pentylideneoxasilolane
CID 101474220
[(E,1S)-1-cyclohexyl-2-ethylpent-2-enoxy]-triethylsilane
CID 102515909
[(E,1S)-1-cyclohexylnon-2-enoxy]-triethylsilane
CID 102515912
Tert-butyl-(4-decyl-2-methylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 134905111
tert-butyl-dimethyl-[(3S,4S)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 134979489
[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 134982478
trimethyl-[(1R,2S)-2-[(E)-3-trimethylsilylbut-1-enyl]cyclohexyl]oxysilane
CID 135067882

Frequently Asked Questions

What is the IUPAC name of (3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane?
The IUPAC name of (3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane (CID 101474218) is (3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane.
What is the SMILES notation for (3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane?
The canonical SMILES for (3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane is C/C=C1\[C@@H](C2CCCCC2)[C@H](C(C)C)O[Si]1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of (3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane?
The InChIKey is UKBFHJVAKJGYPU-RYOJLJCYSA-N. The full InChI is InChI=1S/C22H42OSi/c1-10-18-19(17-14-12-11-13-15-17)20(16(2)3)23-24(18,21(4,5)6)22(7,8)9/h10,16-17,19-20H,11-15H2,1-9H3/b18-10+/t19-,20+/m1/s1.
What are the key properties of (3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane?
(3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane has a molecular weight of 350.66 g/mol, XLogP of 7.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4S,5S)-2,2-ditert-butyl-4-cyclohexyl-3-ethylidene-5-propan-2-yloxasilolane is sourced from PubChem (CID 101474218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).