[(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane

C16H32O4Si — CID 11034445

IUPAC[(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane
SMILESCOC(OC)[C@@]1(C=C(C)C)CCCC[C@@H]1O[Si](C)(C)OC
InChIInChI=1S/C16H32O4Si/c1-13(2)12-16(15(17-3)18-4)11-9-8-10-14(16)20-21(6,7)19-5/h12,14-15H,8-11H2,1-7H3/t14-,16+/m0/s1
InChIKeyUKIUQBLGYVUMOD-GOEBONIOSA-N
MW316.51 g/mol
LogP3.87
Rot. Bonds7

About [(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane

[(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane (PubChem CID 11034445) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is [(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane.

Molecular Properties

Compound Name[(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane
PubChem CID11034445
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name[(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane
SMILESCOC(OC)[C@@]1(C=C(C)C)CCCC[C@@H]1O[Si](C)(C)OC
InChIInChI=1S/C16H32O4Si/c1-13(2)12-16(15(17-3)18-4)11-9-8-10-14(16)20-21(6,7)19-5/h12,14-15H,8-11H2,1-7H3/t14-,16+/m0/s1
InChIKeyUKIUQBLGYVUMOD-GOEBONIOSA-N
XLogP3.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane?
The IUPAC name of [(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane (CID 11034445) is [(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane.
What is the SMILES notation for [(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane?
The canonical SMILES for [(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane is COC(OC)[C@@]1(C=C(C)C)CCCC[C@@H]1O[Si](C)(C)OC.
What is the InChIKey of [(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane?
The InChIKey is UKIUQBLGYVUMOD-GOEBONIOSA-N. The full InChI is InChI=1S/C16H32O4Si/c1-13(2)12-16(15(17-3)18-4)11-9-8-10-14(16)20-21(6,7)19-5/h12,14-15H,8-11H2,1-7H3/t14-,16+/m0/s1.
What are the key properties of [(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane?
[(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane has a molecular weight of 316.51 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(dimethoxymethyl)-2-(2-methylprop-1-enyl)cyclohexyl]oxy-methoxy-dimethylsilane is sourced from PubChem (CID 11034445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).