carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium)

C26H38O4Y2-4 — CID 157259810

IUPACcarbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium)
SMILESC=c1ccc(=C)cc1.C[CH-]C.C[CH-]C.Cc1ccc(COC=O)cc1.O=C=O.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C9H10O2.C8H8.2C3H7.CO2.2CH3.2Y/c1-8-2-4-9(5-3-8)6-11-7-10;1-7-3-5-8(2)6-4-7;2*1-3-2;2-1-3;;;;/h2-5,7H,6H2,1H3;3-6H,1-2H2;2*3H,1-2H3;;2*1H3;;/q;;2*-1;;2*-1;;
InChIKeyBSXJLQXMVPIFAF-UHFFFAOYSA-N
MW592.40 g/mol
LogP4.95
Rot. Bonds3

About carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium)

carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium) (PubChem CID 157259810) has the molecular formula C26H38O4Y2-4 and a molecular weight of 592.40 g/mol. Its IUPAC name is carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium).

Molecular Properties

Compound Namecarbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium)
PubChem CID157259810
Molecular FormulaC26H38O4Y2-4
Molecular Weight592.40 g/mol
Exact Mass592.09
IUPAC Namecarbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium)
SMILESC=c1ccc(=C)cc1.C[CH-]C.C[CH-]C.Cc1ccc(COC=O)cc1.O=C=O.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C9H10O2.C8H8.2C3H7.CO2.2CH3.2Y/c1-8-2-4-9(5-3-8)6-11-7-10;1-7-3-5-8(2)6-4-7;2*1-3-2;2-1-3;;;;/h2-5,7H,6H2,1H3;3-6H,1-2H2;2*3H,1-2H3;;2*1H3;;/q;;2*-1;;2*-1;;
InChIKeyBSXJLQXMVPIFAF-UHFFFAOYSA-N
XLogP4.95
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.40
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-phosphanylphenyl)methyl formate
CID 91097019
[4-(ethenoxymethyl)phenyl]methyl formate
CID 139924907
sodium;hydride;(4-hydroxyphenyl)methyl formate
CID 173269022
1-(buta-1,3-dienoxymethyl)-4-methylbenzene
CID 118966136
[4-(formyloxymethyl)phenyl]methyl formate;[4-(hydroxymethyl)phenyl]methanol;molecular hydrogen
CID 158556157
(4-methylphenyl)methyl nitrite
CID 12749829
methyl formate;(4-methylphenyl)methyl acetate
CID 143607807
1-[(4-methylphenyl)methoxy]propan-2-yl formate
CID 58861581
6-(4-methylphenoxy)hexyl formate
CID 143732521
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
[4-(formyloxymethyl)phenyl]methyl 4-acetyloxybutanoate
CID 140743476
2-[[2-[(4-methylphenyl)methoxy]-2-oxoethyl]amino]acetic acid
CID 146503139

Frequently Asked Questions

What is the IUPAC name of carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium)?
The IUPAC name of carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium) (CID 157259810) is carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium).
What is the SMILES notation for carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium)?
The canonical SMILES for carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium) is C=c1ccc(=C)cc1.C[CH-]C.C[CH-]C.Cc1ccc(COC=O)cc1.O=C=O.[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium)?
The InChIKey is BSXJLQXMVPIFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C8H8.2C3H7.CO2.2CH3.2Y/c1-8-2-4-9(5-3-8)6-11-7-10;1-7-3-5-8(2)6-4-7;2*1-3-2;2-1-3;;;;/h2-5,7H,6H2,1H3;3-6H,1-2H2;2*3H,1-2H3;;2*1H3;;/q;;2*-1;;2*-1;;.
What are the key properties of carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium)?
carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium) has a molecular weight of 592.40 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;carbon dioxide;3,6-dimethylidenecyclohexa-1,4-diene;(4-methylphenyl)methyl formate;propane;bis(yttrium) is sourced from PubChem (CID 157259810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).