tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane

C15H28OSi — CID 10538790

IUPACtert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane
SMILESC=CC[C@H](C=C)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-9-12-13(10-2)14(11-3)16-17(7,8)15(4,5)6/h9-11,13-14H,1-3,12H2,4-8H3/t13-,14-/m0/s1
InChIKeyJVPOQQMXDVIXQR-KBPBESRZSA-N
MW252.47 g/mol
LogP4.94
Rot. Bonds7

About tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane

tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane (PubChem CID 10538790) has the molecular formula C15H28OSi and a molecular weight of 252.47 g/mol. Its IUPAC name is tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane
PubChem CID10538790
Molecular FormulaC15H28OSi
Molecular Weight252.47 g/mol
Exact Mass252.19
IUPAC Nametert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane
SMILESC=CC[C@H](C=C)[C@H](C=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28OSi/c1-9-12-13(10-2)14(11-3)16-17(7,8)15(4,5)6/h9-11,13-14H,1-3,12H2,4-8H3/t13-,14-/m0/s1
InChIKeyJVPOQQMXDVIXQR-KBPBESRZSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.47
LogP ≤ 54.94
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-(Tert-butyldimethylsiloxy)-1,6-heptadiene
CID 10933202
4-Penten-2-ol, tert-butyldimethylsilyl ether
CID 11085022
1,5-Hexadien-3-ol, tert-butyldimethylsilyl ether
CID 15653177
Silane, (1,1-dimethylethyl)(1-ethenylbutoxy)dimethyl-
CID 11206678
Tert-butyl-hex-5-en-3-yloxy-dimethylsilane
CID 15358394
Hex-1-en-3-yloxy(trimethyl)silane
CID 262863
2,4-Dimethylpenta-1,4-dien-3-yloxy-dimethyl-prop-2-enylsilane
CID 10889176
tert-butyl-dimethyl-[(2R)-pent-4-en-2-yl]oxysilane
CID 11435596
tert-butyl-dimethyl-[(2R)-2-methylpent-4-enoxy]silane
CID 11506762
tert-butyl-dimethyl-[(1S,6S)-6-prop-2-enylcyclohex-3-en-1-yl]oxysilane
CID 11543369
Tert-butyl-(1-cyclopent-3-en-1-ylbut-3-enoxy)-dimethylsilane
CID 11666003
tert-butyl-dimethyl-[(2S)-2-methylpent-4-enoxy]silane
CID 14038687

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane (CID 10538790) is tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane is C=CC[C@H](C=C)[C@H](C=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
The InChIKey is JVPOQQMXDVIXQR-KBPBESRZSA-N. The full InChI is InChI=1S/C15H28OSi/c1-9-12-13(10-2)14(11-3)16-17(7,8)15(4,5)6/h9-11,13-14H,1-3,12H2,4-8H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane has a molecular weight of 252.47 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S,4R)-4-ethenylhepta-1,6-dien-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 10538790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).