[(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane

C13H26OSi — CID 10609317

IUPAC[(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane
SMILESC=CCC[C@@H]1CCC[C@@H](O[Si](C)(C)C)C1
InChIInChI=1S/C13H26OSi/c1-5-6-8-12-9-7-10-13(11-12)14-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3/t12-,13-/m1/s1
InChIKeyKACBSFCVJBHLCW-CHWSQXEVSA-N
MW226.44 g/mol
LogP4.36
Rot. Bonds5

About [(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane

[(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane (PubChem CID 10609317) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is [(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane
PubChem CID10609317
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Name[(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane
SMILESC=CCC[C@@H]1CCC[C@@H](O[Si](C)(C)C)C1
InChIInChI=1S/C13H26OSi/c1-5-6-8-12-9-7-10-13(11-12)14-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3/t12-,13-/m1/s1
InChIKeyKACBSFCVJBHLCW-CHWSQXEVSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.36
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'}

Analyze [(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-Fluoroethenyl)dec-1-en-4-yloxy-trimethylsilane
CID 57318195
Tert-butyl-(3-ethenyl-5-fluoro-4-methylidenecyclohexyl)oxy-dimethylsilane
CID 91040703
6-(Fluoromethyl)dec-1-en-4-yloxy-trimethylsilane
CID 140333711
Isopulegol, [1R-(1alpha,2beta,5alpha)]-, TMS derivative
CID 588570
Tert-butyl-(1-cyclohexylprop-2-enoxy)-dimethylsilane
CID 11253834
Silane, [(1-cyclohexyl-2-propenyl)oxy]trimethyl-
CID 10910863
1-(2-Ethenylcyclohexyl)ethenoxy-trimethylsilane
CID 12579601
[(E)-3-cyclohexyl-3-trimethylsilyloxyprop-1-enyl]-tri(propan-2-yl)silane
CID 134883124
trans-(1R,2R)-2-[(E)-1,3-bis(trimethylsilyl)prop-2-enyl]cyclohexan-1-olate
CID 135010036
trimethyl-[(E)-3-[(1S,2R)-2-trimethylsilyloxycyclohexyl]prop-1-enyl]silane
CID 135066667
(1-Cyclohexyl-2-methylprop-2-enoxy)-dimethyl-prop-2-enylsilane
CID 135079482
1-Cyclohexylprop-2-enoxy-dimethyl-prop-2-enylsilane
CID 135083685

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane?
The IUPAC name of [(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane (CID 10609317) is [(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane.
What is the SMILES notation for [(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane?
The canonical SMILES for [(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane is C=CCC[C@@H]1CCC[C@@H](O[Si](C)(C)C)C1.
What is the InChIKey of [(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane?
The InChIKey is KACBSFCVJBHLCW-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H26OSi/c1-5-6-8-12-9-7-10-13(11-12)14-15(2,3)4/h5,12-13H,1,6-11H2,2-4H3/t12-,13-/m1/s1.
What are the key properties of [(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane?
[(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-but-3-enylcyclohexyl]oxy-trimethylsilane is sourced from PubChem (CID 10609317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).