cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate

C82H148O15 — CID 161215904

IUPACcyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate
SMILESCCC1CC(CC)C(C(=O)OCOC(C)(C)C)C1.CCC1CC(CC)C(C(=O)OCOC2(CC)CCCC2)C1.CCC1CC(CC)C(C(=O)OCOC2CCCC2)C1.CCC1CC(CC)C(C(=O)OCOC2CCCCC2)C1.CCC1CC(CC)C(C(=O)OCOCC(C)(C)C)C1
InChIInChI=1S/C18H32O3.C17H30O3.C16H28O3.C16H30O3.C15H28O3/c1-4-14-11-15(5-2)16(12-14)17(19)20-13-21-18(6-3)9-7-8-10-18;1-3-13-10-14(4-2)16(11-13)17(18)20-12-19-15-8-6-5-7-9-15;1-3-12-9-13(4-2)15(10-12)16(17)19-11-18-14-7-5-6-8-14;1-6-12-8-13(7-2)14(9-12)15(17)19-11-18-10-16(3,4)5;1-6-11-8-12(7-2)13(9-11)14(16)17-10-18-15(3,4)5/h14-16H,4-13H2,1-3H3;13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;12-14H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3
InChIKeyUWVZKXVFGUTMSV-UHFFFAOYSA-N
MW1374.07 g/mol
LogP20.67
Rot. Bonds30

About cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate

cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate (PubChem CID 161215904) has the molecular formula C82H148O15 and a molecular weight of 1374.07 g/mol. Its IUPAC name is cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namecyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate
PubChem CID161215904
Molecular FormulaC82H148O15
Molecular Weight1374.07 g/mol
Exact Mass1373.08
IUPAC Namecyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate
SMILESCCC1CC(CC)C(C(=O)OCOC(C)(C)C)C1.CCC1CC(CC)C(C(=O)OCOC2(CC)CCCC2)C1.CCC1CC(CC)C(C(=O)OCOC2CCCC2)C1.CCC1CC(CC)C(C(=O)OCOC2CCCCC2)C1.CCC1CC(CC)C(C(=O)OCOCC(C)(C)C)C1
InChIInChI=1S/C18H32O3.C17H30O3.C16H28O3.C16H30O3.C15H28O3/c1-4-14-11-15(5-2)16(12-14)17(19)20-13-21-18(6-3)9-7-8-10-18;1-3-13-10-14(4-2)16(11-13)17(18)20-12-19-15-8-6-5-7-9-15;1-3-12-9-13(4-2)15(10-12)16(17)19-11-18-14-7-5-6-8-14;1-6-12-8-13(7-2)14(9-12)15(17)19-11-18-10-16(3,4)5;1-6-11-8-12(7-2)13(9-11)14(16)17-10-18-15(3,4)5/h14-16H,4-13H2,1-3H3;13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;12-14H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3
InChIKeyUWVZKXVFGUTMSV-UHFFFAOYSA-N
XLogP20.67
TPSA177.65 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds30
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001374.07
LogP ≤ 520.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate?
The IUPAC name of cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate (CID 161215904) is cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate.
What is the SMILES notation for cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate?
The canonical SMILES for cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate is CCC1CC(CC)C(C(=O)OCOC(C)(C)C)C1.CCC1CC(CC)C(C(=O)OCOC2(CC)CCCC2)C1.CCC1CC(CC)C(C(=O)OCOC2CCCC2)C1.CCC1CC(CC)C(C(=O)OCOC2CCCCC2)C1.CCC1CC(CC)C(C(=O)OCOCC(C)(C)C)C1.
What is the InChIKey of cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate?
The InChIKey is UWVZKXVFGUTMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3.C17H30O3.C16H28O3.C16H30O3.C15H28O3/c1-4-14-11-15(5-2)16(12-14)17(19)20-13-21-18(6-3)9-7-8-10-18;1-3-13-10-14(4-2)16(11-13)17(18)20-12-19-15-8-6-5-7-9-15;1-3-12-9-13(4-2)15(10-12)16(17)19-11-18-14-7-5-6-8-14;1-6-12-8-13(7-2)14(9-12)15(17)19-11-18-10-16(3,4)5;1-6-11-8-12(7-2)13(9-11)14(16)17-10-18-15(3,4)5/h14-16H,4-13H2,1-3H3;13-16H,3-12H2,1-2H3;12-15H,3-11H2,1-2H3;12-14H,6-11H2,1-5H3;11-13H,6-10H2,1-5H3.
What are the key properties of cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate?
cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate has a molecular weight of 1374.07 g/mol, XLogP of 20.67, 30 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;cyclopentyloxymethyl 2,4-diethylcyclopentane-1-carboxylate;2,2-dimethylpropoxymethyl 2,4-diethylcyclopentane-1-carboxylate;(1-ethylcyclopentyl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate;(2-methylpropan-2-yl)oxymethyl 2,4-diethylcyclopentane-1-carboxylate is sourced from PubChem (CID 161215904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).