[(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane

C13H26O2Si — CID 10752710

IUPAC[(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane
SMILESC[C@@H](OC1=CCCCC1)[C@@H](C)O[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(12(2)15-16(3,4)5)14-13-9-7-6-8-10-13/h9,11-12H,6-8,10H2,1-5H3/t11-,12-/m1/s1
InChIKeyDFFZBBMVSKVMDC-VXGBXAGGSA-N
MW242.43 g/mol
LogP4.09
Rot. Bonds5

About [(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane

[(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane (PubChem CID 10752710) has the molecular formula C13H26O2Si and a molecular weight of 242.43 g/mol. Its IUPAC name is [(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane
PubChem CID10752710
Molecular FormulaC13H26O2Si
Molecular Weight242.43 g/mol
Exact Mass242.17
IUPAC Name[(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane
SMILESC[C@@H](OC1=CCCCC1)[C@@H](C)O[Si](C)(C)C
InChIInChI=1S/C13H26O2Si/c1-11(12(2)15-16(3,4)5)14-13-9-7-6-8-10-13/h9,11-12H,6-8,10H2,1-5H3/t11-,12-/m1/s1
InChIKeyDFFZBBMVSKVMDC-VXGBXAGGSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Cyclohexen-1-yloxy)ethoxy-trimethylsilane
CID 11413248
2-(Cyclopenten-1-yloxy)ethoxy-trimethylsilane
CID 14202583
2-(Cyclohepten-1-yloxy)ethoxy-trimethylsilane
CID 14202584
2-[(1E)-cycloocten-1-yl]oxyethoxy-trimethylsilane
CID 14202585
3-(Cyclohexen-1-yloxy)propoxy-trimethylsilane
CID 14202589
[3-(Cyclohexen-1-yloxy)-2,2-dimethylpropoxy]-trimethylsilane
CID 14202593
1-Trimethylsilyloxy-6-(s)-methoxy-1-cyclohexene
CID 10987281
(6-Methoxycyclohexen-1-yl)oxy-trimethylsilane
CID 12476675
1,2-Bis(trimethylsilyloxy)-2-cyclohexene
CID 19379277
2-(Cyclohexen-1-yloxy)ethyl-trimethoxysilane
CID 54416092
1-(2-Propoxyethoxy)cyclohexene
CID 117932918
1-[2-(2-Butoxyethoxy)ethoxy]cyclohexene
CID 145664448

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane?
The IUPAC name of [(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane (CID 10752710) is [(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane is C[C@@H](OC1=CCCCC1)[C@@H](C)O[Si](C)(C)C.
What is the InChIKey of [(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane?
The InChIKey is DFFZBBMVSKVMDC-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H26O2Si/c1-11(12(2)15-16(3,4)5)14-13-9-7-6-8-10-13/h9,11-12H,6-8,10H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of [(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane?
[(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane has a molecular weight of 242.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-(cyclohexen-1-yloxy)butan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 10752710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).