oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+))

C72H108O10W2 — CID 139126703

IUPACoxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+))
SMILESC1CCOC1.C1CCOC1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.[W+2].[W+2]
InChIInChI=1S/4C16H24O2.2C4H8O.2W/c4*1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;2*1-2-4-5-3-1;;/h4*7-11H,1-6H3,(H,17,18);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyOUKPADPTHMPERW-UHFFFAOYSA-J
MW1501.33 g/mol
LogP15.27
Rot. Bonds16

About oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+))

oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+)) (PubChem CID 139126703) has the molecular formula C72H108O10W2 and a molecular weight of 1501.33 g/mol. Its IUPAC name is oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+)).

Molecular Properties

Compound Nameoxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+))
PubChem CID139126703
Molecular FormulaC72H108O10W2
Molecular Weight1501.33 g/mol
Exact Mass1500.70
IUPAC Nameoxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+))
SMILESC1CCOC1.C1CCOC1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.[W+2].[W+2]
InChIInChI=1S/4C16H24O2.2C4H8O.2W/c4*1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;2*1-2-4-5-3-1;;/h4*7-11H,1-6H3,(H,17,18);2*1-4H2;;/q;;;;;;2*+2/p-4
InChIKeyOUKPADPTHMPERW-UHFFFAOYSA-J
XLogP15.27
TPSA178.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001501.33
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Oxolane;bis(ruthenium(2+));tetrakis(2-(trifluoromethyl)benzoate)
CID 139142716
Tetrakis(2,6-bis(trifluoromethyl)benzoate);oxolane;tetrakis(ruthenium(2+));tetraacetate
CID 139168352
Bis(2,6-bis(trifluoromethyl)benzoate);oxolane;propanoate;bis(ruthenium(2+))
CID 139168353
Bis(2,6-bis(trifluoromethyl)benzoate);butanoate;oxolane;bis(ruthenium(2+))
CID 139168354
Bis(2,6-bis(trifluoromethyl)benzoate);oxolane;bis(pentanoate);bis(ruthenium(2+))
CID 139168355
Bis(2,6-bis(trifluoromethyl)benzoate);bis(2,2-dimethylpropanoate);oxolane;bis(ruthenium(2+))
CID 139168356
Tetramethyl tetraphenylene-1,4,9,12-tetracarboxylate
CID 12362873
Tetramethyl tetraphenylene-1,4,5,8-tetracarboxylate
CID 85774731
Ethyl 2-phenyl-3,6-bis[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzoate
CID 102408389
Methyl 2-[4-[4-(2-methoxycarbonyl-3,4,5,6-tetramethylphenyl)phenyl]phenyl]-3,4,5,6-tetramethylbenzoate
CID 135017080
Ethyl 4-[4-[4-(4-ethoxycarbonylphenyl)-3-methylphenyl]-2-methylphenyl]benzoate
CID 135025888
Bis(4-ethenylbenzoate);bis(molybdenum(2+));oxolane;bis(2,4,6-tri(propan-2-yl)benzoate)
CID 139044573

Frequently Asked Questions

What is the IUPAC name of oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+))?
The IUPAC name of oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+)) (CID 139126703) is oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+)).
What is the SMILES notation for oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+))?
The canonical SMILES for oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+)) is C1CCOC1.C1CCOC1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.CC(C)c1cc(C(C)C)c(C(=O)[O-])c(C(C)C)c1.[W+2].[W+2].
What is the InChIKey of oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+))?
The InChIKey is OUKPADPTHMPERW-UHFFFAOYSA-J. The full InChI is InChI=1S/4C16H24O2.2C4H8O.2W/c4*1-9(2)12-7-13(10(3)4)15(16(17)18)14(8-12)11(5)6;2*1-2-4-5-3-1;;/h4*7-11H,1-6H3,(H,17,18);2*1-4H2;;/q;;;;;;2*+2/p-4.
What are the key properties of oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+))?
oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+)) has a molecular weight of 1501.33 g/mol, XLogP of 15.27, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;tetrakis(2,4,6-tri(propan-2-yl)benzoate);bis(tungsten(2+)) is sourced from PubChem (CID 139126703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).