cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate

C15H24O3 — CID 70561516

IUPACcyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate
SMILESCCOC(=CC1CCCC1)C(=O)OC1CCCC1
InChIInChI=1S/C15H24O3/c1-2-17-14(11-12-7-3-4-8-12)15(16)18-13-9-5-6-10-13/h11-13H,2-10H2,1H3
InChIKeyIELQWMOFRCTSCN-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.58
Rot. Bonds5

About cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate

cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate (PubChem CID 70561516) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate.

Molecular Properties

Compound Namecyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate
PubChem CID70561516
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Namecyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate
SMILESCCOC(=CC1CCCC1)C(=O)OC1CCCC1
InChIInChI=1S/C15H24O3/c1-2-17-14(11-12-7-3-4-8-12)15(16)18-13-9-5-6-10-13/h11-13H,2-10H2,1H3
InChIKeyIELQWMOFRCTSCN-UHFFFAOYSA-N
XLogP3.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate?
The IUPAC name of cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate (CID 70561516) is cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate.
What is the SMILES notation for cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate?
The canonical SMILES for cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate is CCOC(=CC1CCCC1)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate?
The InChIKey is IELQWMOFRCTSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-2-17-14(11-12-7-3-4-8-12)15(16)18-13-9-5-6-10-13/h11-13H,2-10H2,1H3.
What are the key properties of cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate?
cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate has a molecular weight of 252.35 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 3-cyclopentyl-2-ethoxyprop-2-enoate is sourced from PubChem (CID 70561516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).