tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane

C16H30OSi — CID 72735702

IUPACtert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane
SMILESC=C1O[C@@H](C2CCCCC2)[C@@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-12-15(18(5,6)16(2,3)4)14(17-12)13-10-8-7-9-11-13/h13-15H,1,7-11H2,2-6H3/t14-,15+/m0/s1
InChIKeyIIBKIYXXDXDWQL-LSDHHAIUSA-N
MW266.50 g/mol
LogP5.36
Rot. Bonds2

About tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane

tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane (PubChem CID 72735702) has the molecular formula C16H30OSi and a molecular weight of 266.50 g/mol. Its IUPAC name is tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane
PubChem CID72735702
Molecular FormulaC16H30OSi
Molecular Weight266.50 g/mol
Exact Mass266.21
IUPAC Nametert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane
SMILESC=C1O[C@@H](C2CCCCC2)[C@@H]1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H30OSi/c1-12-15(18(5,6)16(2,3)4)14(17-12)13-10-8-7-9-11-13/h13-15H,1,7-11H2,2-6H3/t14-,15+/m0/s1
InChIKeyIIBKIYXXDXDWQL-LSDHHAIUSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.50
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-[(2S,6S)-2-cyclohexyl-6-propyloxan-4-ylidene]methyl]-trimethylsilane
CID 135041468
[(1S)-1-[(1R)-1-cyclohexylbut-3-enoxy]hexyl]-fluoro-dimethylsilane
CID 10495501
[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-trimethylsilane
CID 72735522
[(2S,3R)-2-cyclohexyl-4-methylideneoxetan-3-yl]-trimethylsilane
CID 72735701
Tert-butyl-(4-cyclohexylpent-4-en-2-yloxy)-dimethylsilane
CID 101624095
2-Cyclohexyl-4-methylideneoxetane
CID 102130498
(2-Cyclohexyl-4-methylideneoxetan-3-yl)-trimethylsilane
CID 102130499
Tert-butyl-(2-cyclohexyl-4-methylideneoxetan-3-yl)-dimethylsilane
CID 102130500

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane (CID 72735702) is tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane is C=C1O[C@@H](C2CCCCC2)[C@@H]1[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane?
The InChIKey is IIBKIYXXDXDWQL-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H30OSi/c1-12-15(18(5,6)16(2,3)4)14(17-12)13-10-8-7-9-11-13/h13-15H,1,7-11H2,2-6H3/t14-,15+/m0/s1.
What are the key properties of tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane?
tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane has a molecular weight of 266.50 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3S)-2-cyclohexyl-4-methylideneoxetan-3-yl]-dimethylsilane is sourced from PubChem (CID 72735702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).