(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate

C94H156O16 — CID 161185628

IUPAC(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC1(C(C)C)CCCCC1.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(C)CCCCC1.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCC1.C=C(C)C(=O)OC1(CCC)CCCC1.C=C(C)C(=O)OC1(CCC)CCCCC1
InChIInChI=1S/2C13H22O2.3C12H20O2.2C11H18O2.C10H16O2/c1-10(2)12(14)15-13(11(3)4)8-6-5-7-9-13;1-4-8-13(9-6-5-7-10-13)15-12(14)11(2)3;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;1-4-12(8-6-5-7-9-12)14-11(13)10(2)3;1-4-7-12(8-5-6-9-12)14-11(13)10(2)3;1-9(2)10(12)13-11(3)7-5-4-6-8-11;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-8(2)9(11)12-10(3)6-4-5-7-10/h11H,1,5-9H2,2-4H3;2,4-10H2,1,3H3;10H,1,5-8H2,2-4H3;2*2,4-9H2,1,3H3;1,4-8H2,2-3H3;2,4-8H2,1,3H3;1,4-7H2,2-3H3
InChIKeyUTAVFBVVWMHCQK-UHFFFAOYSA-N
MW1542.27 g/mol
LogP24.68
Rot. Bonds24

About (1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate

(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate (PubChem CID 161185628) has the molecular formula C94H156O16 and a molecular weight of 1542.27 g/mol. Its IUPAC name is (1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate
PubChem CID161185628
Molecular FormulaC94H156O16
Molecular Weight1542.27 g/mol
Exact Mass1541.14
IUPAC Name(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC1(C(C)C)CCCCC1.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(C)CCCCC1.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCC1.C=C(C)C(=O)OC1(CCC)CCCC1.C=C(C)C(=O)OC1(CCC)CCCCC1
InChIInChI=1S/2C13H22O2.3C12H20O2.2C11H18O2.C10H16O2/c1-10(2)12(14)15-13(11(3)4)8-6-5-7-9-13;1-4-8-13(9-6-5-7-10-13)15-12(14)11(2)3;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;1-4-12(8-6-5-7-9-12)14-11(13)10(2)3;1-4-7-12(8-5-6-9-12)14-11(13)10(2)3;1-9(2)10(12)13-11(3)7-5-4-6-8-11;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-8(2)9(11)12-10(3)6-4-5-7-10/h11H,1,5-9H2,2-4H3;2,4-10H2,1,3H3;10H,1,5-8H2,2-4H3;2*2,4-9H2,1,3H3;1,4-8H2,2-3H3;2,4-8H2,1,3H3;1,4-7H2,2-3H3
InChIKeyUTAVFBVVWMHCQK-UHFFFAOYSA-N
XLogP24.68
TPSA210.40 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms110
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001542.27
LogP ≤ 524.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate?
The IUPAC name of (1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate (CID 161185628) is (1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)C)CCCC1.C=C(C)C(=O)OC1(C(C)C)CCCCC1.C=C(C)C(=O)OC1(C)CCCC1.C=C(C)C(=O)OC1(C)CCCCC1.C=C(C)C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OC1(CC)CCCCC1.C=C(C)C(=O)OC1(CCC)CCCC1.C=C(C)C(=O)OC1(CCC)CCCCC1.
What is the InChIKey of (1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate?
The InChIKey is UTAVFBVVWMHCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H22O2.3C12H20O2.2C11H18O2.C10H16O2/c1-10(2)12(14)15-13(11(3)4)8-6-5-7-9-13;1-4-8-13(9-6-5-7-10-13)15-12(14)11(2)3;1-9(2)11(13)14-12(10(3)4)7-5-6-8-12;1-4-12(8-6-5-7-9-12)14-11(13)10(2)3;1-4-7-12(8-5-6-9-12)14-11(13)10(2)3;1-9(2)10(12)13-11(3)7-5-4-6-8-11;1-4-11(7-5-6-8-11)13-10(12)9(2)3;1-8(2)9(11)12-10(3)6-4-5-7-10/h11H,1,5-9H2,2-4H3;2,4-10H2,1,3H3;10H,1,5-8H2,2-4H3;2*2,4-9H2,1,3H3;1,4-8H2,2-3H3;2,4-8H2,1,3H3;1,4-7H2,2-3H3.
What are the key properties of (1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate?
(1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate has a molecular weight of 1542.27 g/mol, XLogP of 24.68, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclohexyl) 2-methylprop-2-enoate;(1-ethylcyclopentyl) 2-methylprop-2-enoate;(1-methylcyclohexyl) 2-methylprop-2-enoate;(1-methylcyclopentyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclohexyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate;(1-propylcyclohexyl) 2-methylprop-2-enoate;(1-propylcyclopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 161185628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).