4-dimethylsiloxy-1,6-heptadiyne

C9H13OSi — CID 11332679

IUPAC—
SMILESC#CCC(CC#C)O[Si](C)C
InChIInChI=1S/C9H13OSi/c1-5-7-9(8-6-2)10-11(3)4/h1-2,9H,7-8H2,3-4H3
InChIKeyCDBLJEGAFDFBMC-UHFFFAOYSA-N
MW165.29 g/mol
LogP1.67
Rot. Bonds4

About 4-dimethylsiloxy-1,6-heptadiyne

4-dimethylsiloxy-1,6-heptadiyne (PubChem CID 11332679) has the molecular formula C9H13OSi and a molecular weight of 165.29 g/mol.

Molecular Properties

Compound Name4-dimethylsiloxy-1,6-heptadiyne
PubChem CID11332679
Molecular FormulaC9H13OSi
Molecular Weight165.29 g/mol
Exact Mass165.07
IUPAC Name—
SMILESC#CCC(CC#C)O[Si](C)C
InChIInChI=1S/C9H13OSi/c1-5-7-9(8-6-2)10-11(3)4/h1-2,9H,7-8H2,3-4H3
InChIKeyCDBLJEGAFDFBMC-UHFFFAOYSA-N
XLogP1.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.29
LogP ≤ 51.67
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

3-(Trimethylsilyloxy)-1-butyne
CID 28817
[(2S)-but-3-yn-2-yl]oxy-trimethylsilane
CID 10953626
Trimethyl(pent-1-yn-3-yloxy)silane
CID 14934043
2-Tripropylsilyloxybut-3-yne
CID 531302
2-Butyldimethylsilyloxybut-3-yne
CID 531324
Silane, dimethyl(non-5-yn-3-yloxy)ethoxy-
CID 91723674
Silane, dimethyl(non-5-yn-3-yloxy)propoxy-
CID 91726699
((1-Ethyl-2-butyn-1-yl)oxy)trimethylsilane
CID 588002
Trimethyl(oct-3-yn-2-yloxy)silane
CID 12601906
{[(2S)-But-3-yn-2-yl]oxy}tri(propan-2-yl)silane
CID 14940273
Hex-4-yn-2-yloxy(dimethyl)silane
CID 134969722
But-3-ynoxy(dimethyl)silane
CID 170849294

Frequently Asked Questions

What is the IUPAC name of 4-dimethylsiloxy-1,6-heptadiyne?
The IUPAC name of 4-dimethylsiloxy-1,6-heptadiyne (CID 11332679) is not available.
What is the SMILES notation for 4-dimethylsiloxy-1,6-heptadiyne?
The canonical SMILES for 4-dimethylsiloxy-1,6-heptadiyne is C#CCC(CC#C)O[Si](C)C.
What is the InChIKey of 4-dimethylsiloxy-1,6-heptadiyne?
The InChIKey is CDBLJEGAFDFBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13OSi/c1-5-7-9(8-6-2)10-11(3)4/h1-2,9H,7-8H2,3-4H3.
What are the key properties of 4-dimethylsiloxy-1,6-heptadiyne?
4-dimethylsiloxy-1,6-heptadiyne has a molecular weight of 165.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylsiloxy-1,6-heptadiyne is sourced from PubChem (CID 11332679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).