tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane

C20H40OSi2 — CID 101168207

IUPACtert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane
SMILESC[C@H](C#C[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H40OSi2/c1-17(15-16-22(5,6)7)19(18-13-11-10-12-14-18)21-23(8,9)20(2,3)4/h17-19H,10-14H2,1-9H3/t17-,19-/m1/s1
InChIKeyHMDGOTZNDFPRJX-IEBWSBKVSA-N
MW352.71 g/mol
LogP6.47
Rot. Bonds4

About tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane

tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane (PubChem CID 101168207) has the molecular formula C20H40OSi2 and a molecular weight of 352.71 g/mol. Its IUPAC name is tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane
PubChem CID101168207
Molecular FormulaC20H40OSi2
Molecular Weight352.71 g/mol
Exact Mass352.26
IUPAC Nametert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane
SMILESC[C@H](C#C[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C20H40OSi2/c1-17(15-16-22(5,6)7)19(18-13-11-10-12-14-18)21-23(8,9)20(2,3)4/h17-19H,10-14H2,1-9H3/t17-,19-/m1/s1
InChIKeyHMDGOTZNDFPRJX-IEBWSBKVSA-N
XLogP6.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.71
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane 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

tert-butyl-[(1R,2R)-2-hex-2-ynylcyclohexyl]oxy-dimethylsilane
CID 134978254
Silane, dimethyl(2-methyloct-5-yn-4-yloxy)octyloxy-
CID 91740097
Silane, diethyl(cis-4-methylcyclohexyloxy)octyloxy-
CID 91741580
Silane, diethyl(cis-4-methylcyclohexyloxy)nonyloxy-
CID 91742122
Silane, diethyl(cis-4-methylcyclohexyloxy)decyloxy-
CID 91742698
Silane, diethyl(trans-4-methylcyclohexyloxy)undecyloxy-
CID 91743263
Silane, diethyldecyloxy(6-ethyloct-3-yloxy)-
CID 91744124
Silane, diethyl(6-ethyloct-3-yloxy)undecyloxy-
CID 91744445
Silane, diethyl(cis-4-methylcyclohexyloxy)pentadecyloxy-
CID 91744676
Silane, diethyldodecyloxy(6-ethyloct-3-yloxy)-
CID 91744729
Silane, diethyl(cis-4-methylcyclohexyloxy)hexadecyloxy-
CID 91744959
Silane, diethyl(6-ethyloct-3-yloxy)tridecyloxy-
CID 91744990

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane (CID 101168207) is tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane is C[C@H](C#C[Si](C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane?
The InChIKey is HMDGOTZNDFPRJX-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H40OSi2/c1-17(15-16-22(5,6)7)19(18-13-11-10-12-14-18)21-23(8,9)20(2,3)4/h17-19H,10-14H2,1-9H3/t17-,19-/m1/s1.
What are the key properties of tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane?
tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane has a molecular weight of 352.71 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1S,2R)-1-cyclohexyl-2-methyl-4-trimethylsilylbut-3-ynoxy]-dimethylsilane is sourced from PubChem (CID 101168207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).