6-methylhept-3-yne;tris(yttrium)

C8H13Y3- — CID 59973578

IUPAC6-methylhept-3-yne;tris(yttrium)
SMILESC[CH-]C#CCC(C)C.[Y].[Y].[Y]
InChIInChI=1S/C8H13.3Y/c1-4-5-6-7-8(2)3;;;/h4,8H,7H2,1-3H3;;;/q-1;;;
InChIKeyBVKLYFVNWBETSR-UHFFFAOYSA-N
MW375.91 g/mol
LogP2.25
Rot. Bonds1

About 6-methylhept-3-yne;tris(yttrium)

6-methylhept-3-yne;tris(yttrium) (PubChem CID 59973578) has the molecular formula C8H13Y3- and a molecular weight of 375.91 g/mol. Its IUPAC name is 6-methylhept-3-yne;tris(yttrium).

Molecular Properties

Compound Name6-methylhept-3-yne;tris(yttrium)
PubChem CID59973578
Molecular FormulaC8H13Y3-
Molecular Weight375.91 g/mol
Exact Mass375.82
IUPAC Name6-methylhept-3-yne;tris(yttrium)
SMILESC[CH-]C#CCC(C)C.[Y].[Y].[Y]
InChIInChI=1S/C8H13.3Y/c1-4-5-6-7-8(2)3;;;/h4,8H,7H2,1-3H3;;;/q-1;;;
InChIKeyBVKLYFVNWBETSR-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.91
LogP ≤ 52.25
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

2,7-dimethylnon-4-yne
CID 123926367
dimethyl(4-methylpent-1-ynyl)silane
CID 175501161
methane;2-methylpropane;propane;yttrium
CID 162183539
2-methylbutane;yttrium
CID 157105537
carbanide;(3R,4S)-3,4-dimethylhexane;bis(yttrium);yttrium(3+)
CID 177285354
2,14-dimethylpentadeca-4,6-diyne
CID 166501283
carbanide;methane;2-methylpropane;tris(yttrium)
CID 160679294
8-butyl-2-methyldodec-4-yne
CID 169321420
5-methylhex-2-ynethioic S-acid
CID 57185394
N,N-dimethyl-4-(4-methylpent-1-ynyl)aniline
CID 146003218
(2R,9R)-deca-4,6-diyne-2,9-diol
CID 129384337
hexane;2-methylbutane;2-methylpropane;pentane
CID 160929547

Frequently Asked Questions

What is the IUPAC name of 6-methylhept-3-yne;tris(yttrium)?
The IUPAC name of 6-methylhept-3-yne;tris(yttrium) (CID 59973578) is 6-methylhept-3-yne;tris(yttrium).
What is the SMILES notation for 6-methylhept-3-yne;tris(yttrium)?
The canonical SMILES for 6-methylhept-3-yne;tris(yttrium) is C[CH-]C#CCC(C)C.[Y].[Y].[Y].
What is the InChIKey of 6-methylhept-3-yne;tris(yttrium)?
The InChIKey is BVKLYFVNWBETSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13.3Y/c1-4-5-6-7-8(2)3;;;/h4,8H,7H2,1-3H3;;;/q-1;;;.
What are the key properties of 6-methylhept-3-yne;tris(yttrium)?
6-methylhept-3-yne;tris(yttrium) has a molecular weight of 375.91 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-3-yne;tris(yttrium) is sourced from PubChem (CID 59973578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).