tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane

C15H30OSi — CID 11594048

IUPACtert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane
SMILESC=CC/C(C)=C\[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-9-10-13(2)11-14(3)12-16-17(7,8)15(4,5)6/h9,11,14H,1,10,12H2,2-8H3/b13-11-/t14-/m0/s1
InChIKeyWUAHKXRUSJMWKA-FZDNWWAKSA-N
MW254.49 g/mol
LogP5.17
Rot. Bonds6

About tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane

tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane (PubChem CID 11594048) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane
PubChem CID11594048
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Nametert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane
SMILESC=CC/C(C)=C\[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-9-10-13(2)11-14(3)12-16-17(7,8)15(4,5)6/h9,11,14H,1,10,12H2,2-8H3/b13-11-/t14-/m0/s1
InChIKeyWUAHKXRUSJMWKA-FZDNWWAKSA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.49
LogP ≤ 55.17
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

4-Hexen-1-ol, (4E)-, tert-butyldimethylsilyl ether
CID 15936622
cis-2-Penten-1-ol, tert-butyldimethylsilyl ether
CID 88150799
cis-2-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91697283
trans-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 12010767
cis-3-Hexen-1-ol, tert-butyldimethylsilyl ether
CID 91722567
tert-butyl-[(E)-hex-2-enoxy]-dimethylsilane
CID 10987644
tert-Butyl(hepta-3,6-dienyloxy)dimethylsilane
CID 14214598
tert-butyl-[(Z)-hex-4-enoxy]-dimethylsilane
CID 162397527
Tert-butyl(cyclopent-3-en-1-yloxy)dimethylsilane
CID 11106335
tert-butyl-dimethyl-[(E)-pent-2-enoxy]silane
CID 58205919
tert-butyl-[(E)-hept-5-enoxy]-dimethylsilane
CID 58815025
(Z)-2,2-diisopropyl-4,5,8,9-tetrahydro-1,3,2-dioxasilonine
CID 139030244

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane (CID 11594048) is tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane is C=CC/C(C)=C\[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane?
The InChIKey is WUAHKXRUSJMWKA-FZDNWWAKSA-N. The full InChI is InChI=1S/C15H30OSi/c1-9-10-13(2)11-14(3)12-16-17(7,8)15(4,5)6/h9,11,14H,1,10,12H2,2-8H3/b13-11-/t14-/m0/s1.
What are the key properties of tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane?
tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane has a molecular weight of 254.49 g/mol, XLogP of 5.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3Z)-2,4-dimethylhepta-3,6-dienoxy]-dimethylsilane is sourced from PubChem (CID 11594048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).