(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate

C84H156O12 — CID 161140854

About (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate

(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate (PubChem CID 161140854) has the molecular formula C84H156O12 and a molecular weight of 1358.16 g/mol. Its IUPAC name is (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate.

Molecular Properties

• Compound Name: (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
• PubChem CID: 161140854
• Molecular Formula: C84H156O12
• Molecular Weight: 1358.16 g/mol
• Exact Mass: 1357.16
• IUPAC Name: (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate
• SMILES: CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(CC)C1CCCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC1(OC(=O)C(C)(C)CC)CCCC1
• InChI: InChI=1S/C16H30O2.C15H28O2.2C14H26O2.C13H24O2.C12H22O2/c1-6-15(3,4)14(17)18-16(5,7-2)13-11-9-8-10-12-13;1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12/h13H,6-12H2,1-5H3;7-11H2,1-6H3;2*11H,6-10H2,1-5H3;5-10H2,1-4H3;5-9H2,1-4H3
• InChIKey: UNKQMBQRCMJSEZ-UHFFFAOYSA-N
• XLogP: 23.90
• TPSA: 157.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1358.16
LogP ≤ 5	23.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The IUPAC name of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate (CID 161140854) is (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate.

What is the SMILES notation for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The canonical SMILES for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC(C)(C)C1CCCC1.CCC(C)(C)C(=O)OC(C)(CC)C1CCCCC1.CCC(C)(C)C(=O)OC1(C(C)(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C(C)C)CCCC1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC1(OC(=O)C(C)(C)CC)CCCC1.

What is the InChIKey of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

The InChIKey is UNKQMBQRCMJSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2.C15H28O2.2C14H26O2.C13H24O2.C12H22O2/c1-6-15(3,4)14(17)18-16(5,7-2)13-11-9-8-10-12-13;1-7-14(5,6)12(16)17-15(13(2,3)4)10-8-9-11-15;1-6-13(2,3)12(15)16-14(4,5)11-9-7-8-10-11;1-6-13(4,5)12(15)16-14(11(2)3)9-7-8-10-14;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12/h13H,6-12H2,1-5H3;7-11H2,1-6H3;2*11H,6-10H2,1-5H3;5-10H2,1-4H3;5-9H2,1-4H3.

What are the key properties of (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate?

(1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate has a molecular weight of 1358.16 g/mol, XLogP of 23.90, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (1-tert-butylcyclopentyl) 2,2-dimethylbutanoate;2-cyclohexylbutan-2-yl 2,2-dimethylbutanoate;2-cyclopentylpropan-2-yl 2,2-dimethylbutanoate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;(1-methylcyclopentyl) 2,2-dimethylbutanoate;(1-propan-2-ylcyclopentyl) 2,2-dimethylbutanoate is sourced from PubChem (CID 161140854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).