2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate

C20H34O4 — CID 123204528

IUPAC2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1(CCOC(=O)CC)CCC(CCC)CC1
InChIInChI=1S/C20H34O4/c1-5-7-17-8-10-20(11-9-17,12-14-23-18(21)6-2)13-15-24-19(22)16(3)4/h17H,3,5-15H2,1-2,4H3
InChIKeyOQGFXLBMIJYEHG-UHFFFAOYSA-N
MW338.49 g/mol
LogP4.82
Rot. Bonds10

About 2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate

2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate (PubChem CID 123204528) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is 2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate
PubChem CID123204528
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCC1(CCOC(=O)CC)CCC(CCC)CC1
InChIInChI=1S/C20H34O4/c1-5-7-17-8-10-20(11-9-17,12-14-23-18(21)6-2)13-15-24-19(22)16(3)4/h17H,3,5-15H2,1-2,4H3
InChIKeyOQGFXLBMIJYEHG-UHFFFAOYSA-N
XLogP4.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate (CID 123204528) is 2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCC1(CCOC(=O)CC)CCC(CCC)CC1.
What is the InChIKey of 2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate?
The InChIKey is OQGFXLBMIJYEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4/c1-5-7-17-8-10-20(11-9-17,12-14-23-18(21)6-2)13-15-24-19(22)16(3)4/h17H,3,5-15H2,1-2,4H3.
What are the key properties of 2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate?
2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate has a molecular weight of 338.49 g/mol, XLogP of 4.82, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propanoyloxyethyl)-4-propylcyclohexyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 123204528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).