silver 5-methylhexa-1,3-diyne

C7H7Ag — CID 177393925

IUPACsilver 5-methylhexa-1,3-diyne
SMILES[Ag+].[C-]#CC#CC(C)C
InChIInChI=1S/C7H7.Ag/c1-4-5-6-7(2)3;/h7H,2-3H3;/q-1;+1
InChIKeyMYYLGGIBAYFJOC-UHFFFAOYSA-N
MW199.00 g/mol
LogP1.23
Rot. Bonds

About silver 5-methylhexa-1,3-diyne

silver 5-methylhexa-1,3-diyne (PubChem CID 177393925) has the molecular formula C7H7Ag and a molecular weight of 199.00 g/mol. Its IUPAC name is silver 5-methylhexa-1,3-diyne.

Molecular Properties

Compound Namesilver 5-methylhexa-1,3-diyne
PubChem CID177393925
Molecular FormulaC7H7Ag
Molecular Weight199.00 g/mol
Exact Mass197.96
IUPAC Namesilver 5-methylhexa-1,3-diyne
SMILES[Ag+].[C-]#CC#CC(C)C
InChIInChI=1S/C7H7.Ag/c1-4-5-6-7(2)3;/h7H,2-3H3;/q-1;+1
InChIKeyMYYLGGIBAYFJOC-UHFFFAOYSA-N
XLogP1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.00
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7-methylocta-1,3,5-triyne
CID 22955371
lithium 3-methylbut-1-yne
CID 11007814
5-fluoro-2,6-dimethylhept-3-yne;methane
CID 161269298
disilver;buta-1,3-diyne
CID 11436990
2-methyldeca-3,5-diyne
CID 10510996
nona-1,3,5,7-tetrayne
CID 59907654
pentaoctaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83-dotetracontayne
CID 162450541
nonahexaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67-tetratriacontayne
CID 177268470
tridecadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211-hexahectayne
CID 165166664
heptatriacontadicta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99,101,103,105,107,109,111,113,115,117,119,121,123,125,127,129,131,133,135,137,139,141,143,145,147,149,151,153,155,157,159,161,163,165,167,169,171,173,175,177,179,181,183,185,187,189,191,193,195,197,199,201,203,205,207,209,211,213,215,217,219,221,223,225,227,229,231,233,235-octadecahectayne
CID 162450540
2-methylundeca-3,5-diyne
CID 90780674
propan-2-yl 6-methylhepta-2,4-diynoate
CID 89414986

Frequently Asked Questions

What is the IUPAC name of silver 5-methylhexa-1,3-diyne?
The IUPAC name of silver 5-methylhexa-1,3-diyne (CID 177393925) is silver 5-methylhexa-1,3-diyne.
What is the SMILES notation for silver 5-methylhexa-1,3-diyne?
The canonical SMILES for silver 5-methylhexa-1,3-diyne is [Ag+].[C-]#CC#CC(C)C.
What is the InChIKey of silver 5-methylhexa-1,3-diyne?
The InChIKey is MYYLGGIBAYFJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7.Ag/c1-4-5-6-7(2)3;/h7H,2-3H3;/q-1;+1.
What are the key properties of silver 5-methylhexa-1,3-diyne?
silver 5-methylhexa-1,3-diyne has a molecular weight of 199.00 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for silver 5-methylhexa-1,3-diyne is sourced from PubChem (CID 177393925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).