carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium)

C29H50O2Y2-4 — CID 160779418

IUPACcarbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium)
SMILESC.C.[CH2-]c1cc(C(C)C)cc(C)c1O.[CH2-]c1cc(C(C)C)cc(C)c1OC(C)C.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C14H21O.C11H15O.2CH4.2CH3.2Y/c1-9(2)13-7-11(5)14(12(6)8-13)15-10(3)4;1-7(2)10-5-8(3)11(12)9(4)6-10;;;;;;/h7-10H,5H2,1-4,6H3;5-7,12H,3H2,1-2,4H3;2*1H4;2*1H3;;/q2*-1;;;2*-1;;
InChIKeyJPUBHOSKIHUIER-UHFFFAOYSA-N
MW608.53 g/mol
LogP9.26
Rot. Bonds4

About carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium)

carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium) (PubChem CID 160779418) has the molecular formula C29H50O2Y2-4 and a molecular weight of 608.53 g/mol. Its IUPAC name is carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium).

Molecular Properties

Compound Namecarbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium)
PubChem CID160779418
Molecular FormulaC29H50O2Y2-4
Molecular Weight608.53 g/mol
Exact Mass608.19
IUPAC Namecarbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium)
SMILESC.C.[CH2-]c1cc(C(C)C)cc(C)c1O.[CH2-]c1cc(C(C)C)cc(C)c1OC(C)C.[CH3-].[CH3-].[Y].[Y]
InChIInChI=1S/C14H21O.C11H15O.2CH4.2CH3.2Y/c1-9(2)13-7-11(5)14(12(6)8-13)15-10(3)4;1-7(2)10-5-8(3)11(12)9(4)6-10;;;;;;/h7-10H,5H2,1-4,6H3;5-7,12H,3H2,1-2,4H3;2*1H4;2*1H3;;/q2*-1;;;2*-1;;
InChIKeyJPUBHOSKIHUIER-UHFFFAOYSA-N
XLogP9.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.53
LogP ≤ 59.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium)?
The IUPAC name of carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium) (CID 160779418) is carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium).
What is the SMILES notation for carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium)?
The canonical SMILES for carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium) is C.C.[CH2-]c1cc(C(C)C)cc(C)c1O.[CH2-]c1cc(C(C)C)cc(C)c1OC(C)C.[CH3-].[CH3-].[Y].[Y].
What is the InChIKey of carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium)?
The InChIKey is JPUBHOSKIHUIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21O.C11H15O.2CH4.2CH3.2Y/c1-9(2)13-7-11(5)14(12(6)8-13)15-10(3)4;1-7(2)10-5-8(3)11(12)9(4)6-10;;;;;;/h7-10H,5H2,1-4,6H3;5-7,12H,3H2,1-2,4H3;2*1H4;2*1H3;;/q2*-1;;;2*-1;;.
What are the key properties of carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium)?
carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium) has a molecular weight of 608.53 g/mol, XLogP of 9.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methane;2-methanidyl-6-methyl-4-propan-2-ylphenol;1-methanidyl-3-methyl-5-propan-2-yl-2-propan-2-yloxybenzene;bis(yttrium) is sourced from PubChem (CID 160779418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).