tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane

C21H40O2Si — CID 101185876

IUPACtert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane
SMILESC=C1C[C@H](CCC)O[C@H](C2CCCCC2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O2Si/c1-8-12-18-15-16(2)19(23-24(6,7)21(3,4)5)20(22-18)17-13-10-9-11-14-17/h17-20H,2,8-15H2,1,3-7H3/t18-,19-,20+/m0/s1
InChIKeyOXAYJMNUBLCBSQ-SLFFLAALSA-N
MW352.64 g/mol
LogP6.47
Rot. Bonds5

About tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane (PubChem CID 101185876) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane
PubChem CID101185876
Molecular FormulaC21H40O2Si
Molecular Weight352.64 g/mol
Exact Mass352.28
IUPAC Nametert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane
SMILESC=C1C[C@H](CCC)O[C@H](C2CCCCC2)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H40O2Si/c1-8-12-18-15-16(2)19(23-24(6,7)21(3,4)5)20(22-18)17-13-10-9-11-14-17/h17-20H,2,8-15H2,1,3-7H3/t18-,19-,20+/m0/s1
InChIKeyOXAYJMNUBLCBSQ-SLFFLAALSA-N
XLogP6.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.64
LogP ≤ 56.47
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane (CID 101185876) is tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane is C=C1C[C@H](CCC)O[C@H](C2CCCCC2)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane?
The InChIKey is OXAYJMNUBLCBSQ-SLFFLAALSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-8-12-18-15-16(2)19(23-24(6,7)21(3,4)5)20(22-18)17-13-10-9-11-14-17/h17-20H,2,8-15H2,1,3-7H3/t18-,19-,20+/m0/s1.
What are the key properties of tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane has a molecular weight of 352.64 g/mol, XLogP of 6.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3S,6S)-2-cyclohexyl-4-methylidene-6-propyloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 101185876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).