tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane

C16H34OSi — CID 134963593

IUPACtert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane
SMILESCC/C=C(\CC)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34OSi/c1-9-11-15(10-2)12-14(3)13-17-18(7,8)16(4,5)6/h11,14H,9-10,12-13H2,1-8H3/b15-11+/t14-/m1/s1
InChIKeyDIEPRWVHJUGJOD-XDPMZMSMSA-N
MW270.53 g/mol
LogP5.78
Rot. Bonds7

About tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane

tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane (PubChem CID 134963593) has the molecular formula C16H34OSi and a molecular weight of 270.53 g/mol. Its IUPAC name is tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane
PubChem CID134963593
Molecular FormulaC16H34OSi
Molecular Weight270.53 g/mol
Exact Mass270.24
IUPAC Nametert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane
SMILESCC/C=C(\CC)C[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34OSi/c1-9-11-15(10-2)12-14(3)13-17-18(7,8)16(4,5)6/h11,14H,9-10,12-13H2,1-8H3/b15-11+/t14-/m1/s1
InChIKeyDIEPRWVHJUGJOD-XDPMZMSMSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.53
LogP ≤ 55.78
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

Silane, [(3,7-dimethyl-6-octenyl)oxy]trimethyl-
CID 557338
tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
2,6-Dimethyl-5-hepten-1-yl trimethylsilyl ether
CID 11287356
(+/-)-Lavandulol, TBDMS derivative
CID 14845988
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)hexyloxy-
CID 91697249
bis[(3,7-Dimethyloct-6-en-1-yl)oxy](dimethyl)silane
CID 91697684
Silane, dimethyl(trans-3,7-dimethyl-2,6-octadien-1-yloxy)isohexyloxy-
CID 91698238
Silane, dimethyl(non-3-enyloxy)isohexyloxy-
CID 91698241
1,2,3,6-Tetrahydrobenzylalcohol, tert-butyldimethylsilyl ether
CID 11229886
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane (CID 134963593) is tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane is CC/C=C(\CC)C[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane?
The InChIKey is DIEPRWVHJUGJOD-XDPMZMSMSA-N. The full InChI is InChI=1S/C16H34OSi/c1-9-11-15(10-2)12-14(3)13-17-18(7,8)16(4,5)6/h11,14H,9-10,12-13H2,1-8H3/b15-11+/t14-/m1/s1.
What are the key properties of tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane?
tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane has a molecular weight of 270.53 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(E,2R)-4-ethyl-2-methylhept-4-enoxy]-dimethylsilane is sourced from PubChem (CID 134963593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).