carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)

C9H21Y2- — CID 159087607

IUPACcarbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)
SMILESC/C=C\C=C/C.CC.[CH3-].[H][2H].[Y].[Y]
InChIInChI=1S/C6H10.C2H6.CH3.2Y.H2/c1-3-5-6-4-2;1-2;;;;/h3-6H,1-2H3;1-2H3;1H3;;;1H/q;;-1;;;/b5-3-,6-4-;;;;;/i;;;;;1+1
InChIKeyHWXMAYHNYRCDLS-AUAFOZBCSA-N
MW308.09 g/mol
LogP3.86
Rot. Bonds1

About carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)

carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium) (PubChem CID 159087607) has the molecular formula C9H21Y2- and a molecular weight of 308.09 g/mol. Its IUPAC name is carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium).

Molecular Properties

Compound Namecarbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)
PubChem CID159087607
Molecular FormulaC9H21Y2-
Molecular Weight308.09 g/mol
Exact Mass307.98
IUPAC Namecarbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)
SMILESC/C=C\C=C/C.CC.[CH3-].[H][2H].[Y].[Y]
InChIInChI=1S/C6H10.C2H6.CH3.2Y.H2/c1-3-5-6-4-2;1-2;;;;/h3-6H,1-2H3;1-2H3;1H3;;;1H/q;;-1;;;/b5-3-,6-4-;;;;;/i;;;;;1+1
InChIKeyHWXMAYHNYRCDLS-AUAFOZBCSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.09
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
ethane;(2E,4E)-hexa-2,4-diene;methane
CID 158840688
(4E)-hexa-2,4-diene
CID 22435466
methane;(2E,4Z,6E)-octa-2,4,6-triene
CID 176713447
potassium;hexa-2,4-diene;hydride
CID 174550949
ethane;(3Z,5Z)-hepta-1,3,5-triene
CID 123557011
ethane;hexa-2,4-diene;1-methylsulfanylprop-1-ene
CID 162283255
(Z)-but-2-ene;ethane
CID 90897883
penta-1,3-dienylsilane
CID 149252410
(1Z,3Z)-penta-1,3-diene-1-thiol
CID 126660407
ethane;(2Z,4Z,6Z)-nona-2,4,6-triene
CID 142106659
carbanide;ethane;yttrium
CID 169424836

Frequently Asked Questions

What is the IUPAC name of carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)?
The IUPAC name of carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium) (CID 159087607) is carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium).
What is the SMILES notation for carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)?
The canonical SMILES for carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium) is C/C=C\C=C/C.CC.[CH3-].[H][2H].[Y].[Y].
What is the InChIKey of carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)?
The InChIKey is HWXMAYHNYRCDLS-AUAFOZBCSA-N. The full InChI is InChI=1S/C6H10.C2H6.CH3.2Y.H2/c1-3-5-6-4-2;1-2;;;;/h3-6H,1-2H3;1-2H3;1H3;;;1H/q;;-1;;;/b5-3-,6-4-;;;;;/i;;;;;1+1.
What are the key properties of carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium)?
carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium) has a molecular weight of 308.09 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;deuterium monohydride;ethane;(2Z,4Z)-hexa-2,4-diene;bis(yttrium) is sourced from PubChem (CID 159087607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).