tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane

C14H26OSi — CID 134993571

IUPACtert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane
SMILESC=CC(C=C)=C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-9-13(10-2)11-12(3)15-16(7,8)14(4,5)6/h9-12H,1-2H2,3-8H3/t12-/m0/s1
InChIKeyLFMWFZQTWMZDOW-LBPRGKRZSA-N
MW238.45 g/mol
LogP4.70
Rot. Bonds5

About tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane

tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane (PubChem CID 134993571) has the molecular formula C14H26OSi and a molecular weight of 238.45 g/mol. Its IUPAC name is tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane
PubChem CID134993571
Molecular FormulaC14H26OSi
Molecular Weight238.45 g/mol
Exact Mass238.18
IUPAC Nametert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane
SMILESC=CC(C=C)=C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26OSi/c1-9-13(10-2)11-12(3)15-16(7,8)14(4,5)6/h9-12H,1-2H2,3-8H3/t12-/m0/s1
InChIKeyLFMWFZQTWMZDOW-LBPRGKRZSA-N
XLogP4.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.45
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Trimethyl[[(1E,3E)-2-methylpenta-1,3-dien-1-yl]oxy]silane
CID 10964963
cis-2-Penten-1-ol, tert-butyldimethylsilyl ether
CID 88150799
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
Ctk0J4668
CID 11106001
trimethyl-[(3E)-5-methylhexa-1,3-dien-2-yl]oxysilane
CID 11183042
[(2E,5E)-3,5-dimethylhepta-2,5-dien-4-yl]oxy-dimethyl-prop-2-enylsilane
CID 11543224
tert-butyl-dimethyl-[(E)-pent-2-enoxy]silane
CID 58205919
2,5-Dihydro-2,2-diisopropyl-3-(prop-1-en-2-yl)-1,2-oxasilole
CID 59227484
6-[(E)-but-2-en-2-yl]-2,2,5-trimethyl-3,6-dihydrooxasiline
CID 135063549
6-Ethenyl-2,2-dimethyl-3,6-dihydrooxasiline
CID 135080610
tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane
CID 5387051

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane (CID 134993571) is tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane is C=CC(C=C)=C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane?
The InChIKey is LFMWFZQTWMZDOW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26OSi/c1-9-13(10-2)11-12(3)15-16(7,8)14(4,5)6/h9-12H,1-2H2,3-8H3/t12-/m0/s1.
What are the key properties of tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane?
tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane has a molecular weight of 238.45 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-4-ethenylhexa-3,5-dien-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 134993571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).