[3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate

C16H24O3 — CID 134267793

IUPAC[3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C1CC(CC)CC(C(=O)CCOC(=O)C(=C)C)C1
InChIInChI=1S/C16H24O3/c1-5-13-8-12(4)9-14(10-13)15(17)6-7-19-16(18)11(2)3/h13-14H,2,4-10H2,1,3H3
InChIKeyFCHADRQJYYLSSP-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.45
Rot. Bonds6

About [3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate

[3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate (PubChem CID 134267793) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is [3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate
PubChem CID134267793
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name[3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate
SMILESC=C1CC(CC)CC(C(=O)CCOC(=O)C(=C)C)C1
InChIInChI=1S/C16H24O3/c1-5-13-8-12(4)9-14(10-13)15(17)6-7-19-16(18)11(2)3/h13-14H,2,4-10H2,1,3H3
InChIKeyFCHADRQJYYLSSP-UHFFFAOYSA-N
XLogP3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate (CID 134267793) is [3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate is C=C1CC(CC)CC(C(=O)CCOC(=O)C(=C)C)C1.
What is the InChIKey of [3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate?
The InChIKey is FCHADRQJYYLSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-13-8-12(4)9-14(10-13)15(17)6-7-19-16(18)11(2)3/h13-14H,2,4-10H2,1,3H3.
What are the key properties of [3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate?
[3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate has a molecular weight of 264.36 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethyl-5-methylidenecyclohexyl)-3-oxopropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 134267793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).