butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate

C53H96O10 — CID 161449014

About butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate

butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate (PubChem CID 161449014) has the molecular formula C53H96O10 and a molecular weight of 893.34 g/mol. Its IUPAC name is butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate.

Molecular Properties

• Compound Name: butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate
• PubChem CID: 161449014
• Molecular Formula: C53H96O10
• Molecular Weight: 893.34 g/mol
• Exact Mass: 892.70
• IUPAC Name: butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate
• SMILES: C.C.C.C.CC1C(=O)OC(=O)C1C.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1CCCC21.CCC(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.CCC(C)OC1CCCCC1
• InChI: InChI=1S/C18H30O2.C15H22O4.C10H20O.C6H8O3.4CH4/c1-5-17(3,4)16(19)20-18(6-2)11-12-10-15(18)14-9-7-8-13(12)14;1-3-9(2)13(16)19-15-6-10-4-11(7-15)14(17)18-12(5-10)8-15;1-3-9(2)11-10-7-5-4-6-8-10;1-3-4(2)6(8)9-5(3)7;;;;/h12-15H,5-11H2,1-4H3;9-12H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3-4H,1-2H3;4*1H4
• InChIKey: WAGXDNXLERXTQP-UHFFFAOYSA-N
• XLogP: 13.04
• TPSA: 131.50 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.34
LogP ≤ 5	13.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate?

The IUPAC name of butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate (CID 161449014) is butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate.

What is the SMILES notation for butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate?

The canonical SMILES for butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate is C.C.C.C.CC1C(=O)OC(=O)C1C.CCC(C)(C)C(=O)OC1(CC)CC2CC1C1CCCC21.CCC(C)C(=O)OC12CC3CC(C1)OC(=O)C(C3)C2.CCC(C)OC1CCCCC1.

What is the InChIKey of butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate?

The InChIKey is WAGXDNXLERXTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2.C15H22O4.C10H20O.C6H8O3.4CH4/c1-5-17(3,4)16(19)20-18(6-2)11-12-10-15(18)14-9-7-8-13(12)14;1-3-9(2)13(16)19-15-6-10-4-11(7-15)14(17)18-12(5-10)8-15;1-3-9(2)11-10-7-5-4-6-8-10;1-3-4(2)6(8)9-5(3)7;;;;/h12-15H,5-11H2,1-4H3;9-12H,3-8H2,1-2H3;9-10H,3-8H2,1-2H3;3-4H,1-2H3;4*1H4.

What are the key properties of butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate?

butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate has a molecular weight of 893.34 g/mol, XLogP of 13.04, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for butan-2-yloxycyclohexane;3,4-dimethyloxolane-2,5-dione;(8-ethyl-8-tricyclo[5.2.1.02,6]decanyl) 2,2-dimethylbutanoate;methane;(5-oxo-4-oxatricyclo[4.3.1.13,8]undecan-1-yl) 2-methylbutanoate is sourced from PubChem (CID 161449014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).