[(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane

C18H35BSi2 — CID 101173275

IUPAC[(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane
SMILESCCB(CC)/C(CC)=C(/C=C\C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H35BSi2/c1-10-17(19(11-2)12-3)18(21(7,8)9)15-13-14-16-20(4,5)6/h13,15H,10-12H2,1-9H3/b15-13-,18-17-
InChIKeyFRGHIQHONFTVEW-SAYPXFITSA-N
MW318.46 g/mol
LogP6.08
Rot. Bonds6

About [(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane

[(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane (PubChem CID 101173275) has the molecular formula C18H35BSi2 and a molecular weight of 318.46 g/mol. Its IUPAC name is [(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane
PubChem CID101173275
Molecular FormulaC18H35BSi2
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name[(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane
SMILESCCB(CC)/C(CC)=C(/C=C\C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C18H35BSi2/c1-10-17(19(11-2)12-3)18(21(7,8)9)15-13-14-16-20(4,5)6/h13,15H,10-12H2,1-9H3/b15-13-,18-17-
InChIKeyFRGHIQHONFTVEW-SAYPXFITSA-N
XLogP6.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane?
The IUPAC name of [(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane (CID 101173275) is [(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane.
What is the SMILES notation for [(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane?
The canonical SMILES for [(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane is CCB(CC)/C(CC)=C(/C=C\C#C[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of [(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane?
The InChIKey is FRGHIQHONFTVEW-SAYPXFITSA-N. The full InChI is InChI=1S/C18H35BSi2/c1-10-17(19(11-2)12-3)18(21(7,8)9)15-13-14-16-20(4,5)6/h13,15H,10-12H2,1-9H3/b15-13-,18-17-.
What are the key properties of [(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane?
[(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane has a molecular weight of 318.46 g/mol, XLogP of 6.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-3-diethylboranyl-8-trimethylsilylocta-3,5-dien-7-yn-4-yl]-trimethylsilane is sourced from PubChem (CID 101173275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).