bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum

C47H102O12Ta4+4 — CID 161435527

About bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum

bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum (PubChem CID 161435527) has the molecular formula C47H102O12Ta4+4 and a molecular weight of 1583.11 g/mol. Its IUPAC name is bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum.

Molecular Properties

• Compound Name: bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum
• PubChem CID: 161435527
• Molecular Formula: C47H102O12Ta4+4
• Molecular Weight: 1583.11 g/mol
• Exact Mass: 1582.53
• IUPAC Name: bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum
• SMILES: C.C.CC(C)(C)O.CC(C)O.CC(C)O.CO.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[H]/[O+]=C(/C=C(O)C(C)C)C(C)C.[H]/[O+]=C(/C=C(O)C(C)C)C(C)C.[H]/[O+]=C(\C)C=C(C)O.[Ta].[Ta].[Ta].[Ta]
• InChI: InChI=1S/C11H20O2.2C9H16O2.C5H8O2.C4H10O.2C3H8O.CH4O.2CH4.4Ta/c1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;1-4(2,3)5;2*1-3(2)4;1-2;;;;;;/h7,12H,1-6H3;2*5-7,10H,1-4H3;3,6H,1-2H3;5H,1-3H3;2*3-4H,1-2H3;2H,1H3;2*1H4;;;;/p+4
• InChIKey: CBYADCWFBSXERA-UHFFFAOYSA-R
• XLogP: 11.07
• TPSA: 247.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1583.11
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum?

The IUPAC name of bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum (CID 161435527) is bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum.

What is the SMILES notation for bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum?

The canonical SMILES for bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum is C.C.CC(C)(C)O.CC(C)O.CC(C)O.CO.[H]/[O+]=C(/C=C(O)C(C)(C)C)C(C)(C)C.[H]/[O+]=C(/C=C(O)C(C)C)C(C)C.[H]/[O+]=C(/C=C(O)C(C)C)C(C)C.[H]/[O+]=C(\C)C=C(C)O.[Ta].[Ta].[Ta].[Ta].

What is the InChIKey of bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum?

The InChIKey is CBYADCWFBSXERA-UHFFFAOYSA-R. The full InChI is InChI=1S/C11H20O2.2C9H16O2.C5H8O2.C4H10O.2C3H8O.CH4O.2CH4.4Ta/c1-10(2,3)8(12)7-9(13)11(4,5)6;2*1-6(2)8(10)5-9(11)7(3)4;1-4(6)3-5(2)7;1-4(2,3)5;2*1-3(2)4;1-2;;;;;;/h7,12H,1-6H3;2*5-7,10H,1-4H3;3,6H,1-2H3;5H,1-3H3;2*3-4H,1-2H3;2H,1H3;2*1H4;;;;/p+4.

What are the key properties of bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum?

bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum has a molecular weight of 1583.11 g/mol, XLogP of 11.07, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis((5-hydroxy-2,6-dimethylhept-4-en-3-ylidene)oxidanium);4-hydroxypent-3-en-2-ylideneoxidanium;(5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-ylidene)oxidanium;methane;methanol;2-methylpropan-2-ol;bis(propan-2-ol);tantalum is sourced from PubChem (CID 161435527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).