bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane

C17H30OSi — CID 134941584

IUPACbis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane
SMILESCC#C[C@@H](C)[C@@H](CCC)O[SiH](C/C=C\C)C/C=C\C
InChIInChI=1S/C17H30OSi/c1-6-10-14-19(15-11-7-2)18-17(13-9-4)16(5)12-8-3/h6-7,10-11,16-17,19H,9,13-15H2,1-5H3/b10-6-,11-7-/t16-,17-/m1/s1
InChIKeyCQZFGBPICQBDIF-RDPVWHKQSA-N
MW278.51 g/mol
LogP4.71
Rot. Bonds9

About bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane

bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane (PubChem CID 134941584) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane.

Molecular Properties

Compound Namebis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane
PubChem CID134941584
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Namebis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane
SMILESCC#C[C@@H](C)[C@@H](CCC)O[SiH](C/C=C\C)C/C=C\C
InChIInChI=1S/C17H30OSi/c1-6-10-14-19(15-11-7-2)18-17(13-9-4)16(5)12-8-3/h6-7,10-11,16-17,19H,9,13-15H2,1-5H3/b10-6-,11-7-/t16-,17-/m1/s1
InChIKeyCQZFGBPICQBDIF-RDPVWHKQSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.51
LogP ≤ 54.71
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane?
The IUPAC name of bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane (CID 134941584) is bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane.
What is the SMILES notation for bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane?
The canonical SMILES for bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane is CC#C[C@@H](C)[C@@H](CCC)O[SiH](C/C=C\C)C/C=C\C.
What is the InChIKey of bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane?
The InChIKey is CQZFGBPICQBDIF-RDPVWHKQSA-N. The full InChI is InChI=1S/C17H30OSi/c1-6-10-14-19(15-11-7-2)18-17(13-9-4)16(5)12-8-3/h6-7,10-11,16-17,19H,9,13-15H2,1-5H3/b10-6-,11-7-/t16-,17-/m1/s1.
What are the key properties of bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane?
bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane has a molecular weight of 278.51 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-but-2-enyl]-[(4R,5R)-5-methyloct-6-yn-4-yl]oxysilane is sourced from PubChem (CID 134941584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).