tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane

C14H30OSi — CID 134967066

IUPACtert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane
SMILESC=C(C)C[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-11(2)10-12(3)13(4)15-16(8,9)14(5,6)7/h12-13H,1,10H2,2-9H3/t12-,13-/m1/s1
InChIKeyZSEMZEKRAWOEGA-CHWSQXEVSA-N
MW242.48 g/mol
LogP5.00
Rot. Bonds5

About tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane

tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane (PubChem CID 134967066) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane
PubChem CID134967066
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Nametert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane
SMILESC=C(C)C[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-11(2)10-12(3)13(4)15-16(8,9)14(5,6)7/h12-13H,1,10H2,2-9H3/t12-,13-/m1/s1
InChIKeyZSEMZEKRAWOEGA-CHWSQXEVSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 55.00
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'}

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Related Compounds

tert-butyl-dimethyl-[(2S,4R)-4-methylhex-5-en-2-yl]oxysilane
CID 11817044
(3-Methyl-4-methylidenecyclopentyl)oxy-tri(propan-2-yl)silane
CID 15416503
Tert-butyl-dimethyl-[3-(2-methylidenecyclopropyl)propoxy]silane
CID 102013865
tert-butyl-dimethyl-[(2S,3R)-3-methylhex-5-en-2-yl]oxysilane
CID 102518123
tert-Butyldimethyl[((3R,4R)-4-methyloct-7-en-3-yl)oxy]silan
CID 129889231
Tri(propan-2-yl)-(2-prop-1-en-2-ylpentoxy)silane
CID 135039646
Lithium 5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate
CID 135079325
lithium (4S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpent-1-en-3-olate
CID 135083614
tert-butyl-[(2R)-2,4-dimethylpent-4-enoxy]-dimethylsilane
CID 9991390
4-Methoxy-2-methyl-3-trimethylsilylmethyl-1-octene
CID 101635030
4-Methoxy-2,6-dimethyl-3-trimethylsilylmethyl-1-heptene
CID 101635031
tert-butyl-dimethyl-[(3S)-3-methylhept-6-enoxy]silane
CID 11746818

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane (CID 134967066) is tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane is C=C(C)C[C@@H](C)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane?
The InChIKey is ZSEMZEKRAWOEGA-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H30OSi/c1-11(2)10-12(3)13(4)15-16(8,9)14(5,6)7/h12-13H,1,10H2,2-9H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane?
tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane has a molecular weight of 242.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-3,5-dimethylhex-5-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134967066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).