tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane

C13H26OSi — CID 44550536

IUPACtert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane
SMILESC=CCC[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-8-10-11-12(9-2)14-15(6,7)13(3,4)5/h8-9,12H,1-2,10-11H2,3-7H3/t12-/m1/s1
InChIKeyQGTRKVSVCHFMRQ-GFCCVEGCSA-N
MW226.44 g/mol
LogP4.53
Rot. Bonds6

About tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane (PubChem CID 44550536) has the molecular formula C13H26OSi and a molecular weight of 226.44 g/mol. Its IUPAC name is tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane
PubChem CID44550536
Molecular FormulaC13H26OSi
Molecular Weight226.44 g/mol
Exact Mass226.18
IUPAC Nametert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane
SMILESC=CCC[C@@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26OSi/c1-8-10-11-12(9-2)14-15(6,7)13(3,4)5/h8-9,12H,1-2,10-11H2,3-7H3/t12-/m1/s1
InChIKeyQGTRKVSVCHFMRQ-GFCCVEGCSA-N
XLogP4.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.44
LogP ≤ 54.53
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

3-Triethylsiloxy-1,4-pentadiene
CID 5018389
Silane, (1,1-dimethylethyl)[(1-ethenylhexyl)oxy]dimethyl-
CID 9986037
4-(Tert-butyldimethylsiloxy)-1,6-heptadiene
CID 10933202
Silane, (1,1-dimethylethyl)dimethyl(4-pentenyloxy)-
CID 10987285
4-Penten-2-ol, tert-butyldimethylsilyl ether
CID 11085022
Tert-butyl-hex-5-enyloxy-dimethyl-silane
CID 11085343
[(But-3-en-2-yl)oxy](tert-butyl)dimethylsilane
CID 13307471
Silane, (1,1-dimethylethyl)[(1-ethenyl-2-propenyl)oxy]dimethyl-
CID 356107
1,5-Hexadien-3-ol, tert-butyldimethylsilyl ether
CID 15653177
Silane, [(1-ethenylhexyl)oxy]trimethyl-
CID 10878189
(2-Cyclopenten-1-yloxy)(triisopropyl)silane
CID 10977584
Silane, (1,1-dimethylethyl)(1-ethenylbutoxy)dimethyl-
CID 11206678

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane (CID 44550536) is tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane is C=CCC[C@@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane?
The InChIKey is QGTRKVSVCHFMRQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26OSi/c1-8-10-11-12(9-2)14-15(6,7)13(3,4)5/h8-9,12H,1-2,10-11H2,3-7H3/t12-/m1/s1.
What are the key properties of tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane has a molecular weight of 226.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-hepta-1,6-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 44550536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).