butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane

C44H75NO5 — CID 142310923

About butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane

butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane (PubChem CID 142310923) has the molecular formula C44H75NO5 and a molecular weight of 698.09 g/mol. Its IUPAC name is butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane.

Molecular Properties

• Compound Name: butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane
• PubChem CID: 142310923
• Molecular Formula: C44H75NO5
• Molecular Weight: 698.09 g/mol
• Exact Mass: 697.56
• IUPAC Name: butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane
• SMILES: CC(C)C(=O)c1cc2nc(C3CCC(C)(C)CC3)cc(C(C)(C)C)c2o1.CC(OC(C)(C)C(=O)O)=C1CCC1.CCCC.CCCC(C)(C)C
• InChI: InChI=1S/C23H33NO2.C10H16O3.C7H16.C4H10/c1-14(2)20(25)19-13-18-21(26-19)16(22(3,4)5)12-17(24-18)15-8-10-23(6,7)11-9-15;1-7(8-5-4-6-8)13-10(2,3)9(11)12;1-5-6-7(2,3)4;1-3-4-2/h12-15H,8-11H2,1-7H3;4-6H2,1-3H3,(H,11,12);5-6H2,1-4H3;3-4H2,1-2H3
• InChIKey: YHDYFCZVZRURPP-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 89.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.09
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane?

The IUPAC name of butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane (CID 142310923) is butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane.

What is the SMILES notation for butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane?

The canonical SMILES for butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane is CC(C)C(=O)c1cc2nc(C3CCC(C)(C)CC3)cc(C(C)(C)C)c2o1.CC(OC(C)(C)C(=O)O)=C1CCC1.CCCC.CCCC(C)(C)C.

What is the InChIKey of butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane?

The InChIKey is YHDYFCZVZRURPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2.C10H16O3.C7H16.C4H10/c1-14(2)20(25)19-13-18-21(26-19)16(22(3,4)5)12-17(24-18)15-8-10-23(6,7)11-9-15;1-7(8-5-4-6-8)13-10(2,3)9(11)12;1-5-6-7(2,3)4;1-3-4-2/h12-15H,8-11H2,1-7H3;4-6H2,1-3H3,(H,11,12);5-6H2,1-4H3;3-4H2,1-2H3.

What are the key properties of butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane?

butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane has a molecular weight of 698.09 g/mol, XLogP of 13.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for butane;1-[7-tert-butyl-5-(4,4-dimethylcyclohexyl)furo[3,2-b]pyridin-2-yl]-2-methylpropan-1-one;2-(1-cyclobutylideneethoxy)-2-methylpropanoic acid;2,2-dimethylpentane is sourced from PubChem (CID 142310923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).