carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)

C16H30Ru — CID 162297697

IUPACcarbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)
SMILESC=C(C)C=C(C)C.C=C(C)C=C(C)C.[CH3-].[CH3-].[Ru+2]
InChIInChI=1S/2C7H12.2CH3.Ru/c2*1-6(2)5-7(3)4;;;/h2*5H,1H2,2-4H3;2*1H3;/q;;2*-1;+2
InChIKeyDARRVEJPADFXOI-UHFFFAOYSA-N
MW323.49 g/mol
LogP5.96
Rot. Bonds2

About carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)

carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+) (PubChem CID 162297697) has the molecular formula C16H30Ru and a molecular weight of 323.49 g/mol. Its IUPAC name is carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+).

Molecular Properties

Compound Namecarbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)
PubChem CID162297697
Molecular FormulaC16H30Ru
Molecular Weight323.49 g/mol
Exact Mass324.14
IUPAC Namecarbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)
SMILESC=C(C)C=C(C)C.C=C(C)C=C(C)C.[CH3-].[CH3-].[Ru+2]
InChIInChI=1S/2C7H12.2CH3.Ru/c2*1-6(2)5-7(3)4;;;/h2*5H,1H2,2-4H3;2*1H3;/q;;2*-1;+2
InChIKeyDARRVEJPADFXOI-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.49
LogP ≤ 55.96
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

2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
(3E)-4-(difluoromethyl)-2,6-dimethylhepta-1,3,5-triene
CID 88886456
(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene
CID 143951906
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
3-(2-methylprop-2-enylidene)penta-1,4-diene-2,4-diol
CID 142358246
(3Z)-2-chloro-3,5-dimethylhexa-1,3,5-triene
CID 142150750
4-methyl-2-methylidenepent-3-enal
CID 118287725
(1E)-1-amino-3-methylbuta-1,3-dien-1-ol;ethane
CID 142851465
[(3E)-2,5-dimethylhexa-1,3,5-trien-3-yl]thallium
CID 142529132
ethane;(3E)-5-methylhexa-1,3,5-triene-2,3-diol
CID 143169625
(2E)-2,4-dimethylpenta-2,4-dien-1-amine
CID 126656213

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)?
The IUPAC name of carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+) (CID 162297697) is carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+).
What is the SMILES notation for carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)?
The canonical SMILES for carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+) is C=C(C)C=C(C)C.C=C(C)C=C(C)C.[CH3-].[CH3-].[Ru+2].
What is the InChIKey of carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)?
The InChIKey is DARRVEJPADFXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12.2CH3.Ru/c2*1-6(2)5-7(3)4;;;/h2*5H,1H2,2-4H3;2*1H3;/q;;2*-1;+2.
What are the key properties of carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)?
carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+) has a molecular weight of 323.49 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+) is sourced from PubChem (CID 162297697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).