[(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane

C14H27BrOSi2 — CID 134831084

IUPAC[(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C(\Br)C#C[Si](C)(C)C
InChIInChI=1S/C14H27BrOSi2/c1-14(2,3)18(7,8)16-11-9-13(15)10-12-17(4,5)6/h9H,11H2,1-8H3/b13-9-
InChIKeyHVEIIFNKFSMENU-LCYFTJDESA-N
MW347.45 g/mol
LogP5.17
Rot. Bonds3

About [(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane

[(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane (PubChem CID 134831084) has the molecular formula C14H27BrOSi2 and a molecular weight of 347.45 g/mol. Its IUPAC name is [(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane
PubChem CID134831084
Molecular FormulaC14H27BrOSi2
Molecular Weight347.45 g/mol
Exact Mass346.08
IUPAC Name[(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC/C=C(\Br)C#C[Si](C)(C)C
InChIInChI=1S/C14H27BrOSi2/c1-14(2,3)18(7,8)16-11-9-13(15)10-12-17(4,5)6/h9H,11H2,1-8H3/b13-9-
InChIKeyHVEIIFNKFSMENU-LCYFTJDESA-N
XLogP5.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.45
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(2E)-7,7-dibromohepta-2,6-dien-4-ynoxy]-dimethylsilane
CID 10981777
[(E)-5-bromopent-2-en-4-ynoxy]-tert-butyl-dimethylsilane
CID 11482744
[(E)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane
CID 11780406
[(Z)-3-bromobut-2-enoxy]-tert-butyl-dimethylsilane
CID 101038244
[(Z)-2-bromo-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-trimethylsilane
CID 101145259

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane (CID 134831084) is [(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane is CC(C)(C)[Si](C)(C)OC/C=C(\Br)C#C[Si](C)(C)C.
What is the InChIKey of [(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane?
The InChIKey is HVEIIFNKFSMENU-LCYFTJDESA-N. The full InChI is InChI=1S/C14H27BrOSi2/c1-14(2,3)18(7,8)16-11-9-13(15)10-12-17(4,5)6/h9H,11H2,1-8H3/b13-9-.
What are the key properties of [(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane?
[(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane has a molecular weight of 347.45 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-bromo-5-[tert-butyl(dimethyl)silyl]oxypent-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 134831084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).