tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane

C14H30OSi — CID 102323146

IUPACtert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane
SMILESC=C[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m1/s1
InChIKeySAPUYJHEEKLOSJ-CHWSQXEVSA-N
MW242.48 g/mol
LogP4.86
Rot. Bonds6

About tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane

tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane (PubChem CID 102323146) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane
PubChem CID102323146
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Nametert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane
SMILESC=C[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m1/s1
InChIKeySAPUYJHEEKLOSJ-CHWSQXEVSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 54.86
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 tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-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

Silane, (1,1-dimethylethyl)dimethyl(4-pentenyloxy)-
CID 10987285
Tert-butyl-hex-5-enyloxy-dimethyl-silane
CID 11085343
Hex-5-enoxy-tri(propan-2-yl)silane
CID 11118693
tert-Butyldimethyl (1-methylhex-5-enyloxy)silane
CID 11241664
tert-butyl-dimethyl-[(2R)-2-methylpent-4-enoxy]silane
CID 11506762
tert-butyl-dimethyl-[(2S)-2-methylpent-4-enoxy]silane
CID 14038687
tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane
CID 58815025
Triethyl(hex-5-enoxy)silane
CID 102479733
Tert-butyl-(2-fluorohex-5-enoxy)-dimethylsilane
CID 10823502
tert-butyl-[(2R)-2-fluorohex-5-enoxy]-dimethylsilane
CID 88293027
tert-butyl-[(2S)-2-fluorohex-5-enoxy]-dimethylsilane
CID 88293028
2,6-Dimethyl-5-hepten-1-yl trimethylsilyl ether
CID 11287356

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane (CID 102323146) is tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane is C=C[C@@H](C)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane?
The InChIKey is SAPUYJHEEKLOSJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H30OSi/c1-9-12(2)10-13(3)11-15-16(7,8)14(4,5)6/h9,12-13H,1,10-11H2,2-8H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane?
tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane has a molecular weight of 242.48 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,4S)-2,4-dimethylhex-5-enoxy]-dimethylsilane is sourced from PubChem (CID 102323146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).