cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate

C15H20O3 — CID 175035282

IUPACcyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate
SMILESCCOC(=CC1=CCCC1)C(=O)OC1=CCCC1
InChIInChI=1S/C15H20O3/c1-2-17-14(11-12-7-3-4-8-12)15(16)18-13-9-5-6-10-13/h7,9,11H,2-6,8,10H2,1H3
InChIKeyYCCJIDQRTMWBJU-UHFFFAOYSA-N
MW248.32 g/mol
LogP3.63
Rot. Bonds5

About cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate

cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate (PubChem CID 175035282) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate.

Molecular Properties

Compound Namecyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate
PubChem CID175035282
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namecyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate
SMILESCCOC(=CC1=CCCC1)C(=O)OC1=CCCC1
InChIInChI=1S/C15H20O3/c1-2-17-14(11-12-7-3-4-8-12)15(16)18-13-9-5-6-10-13/h7,9,11H,2-6,8,10H2,1H3
InChIKeyYCCJIDQRTMWBJU-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.63
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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Related Compounds

cyclopenten-1-yl acetate
CID 4640893
2-hydroxyethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate
CID 69462579
1-[1-(cyclopenten-1-yloxy)prop-1-enoxy]cyclopentene
CID 175732932
dicyclododecen-1-yl butanedioate
CID 70131670
methyl 3,3-di(cyclopenten-1-yloxy)-2-methylprop-2-enoate
CID 143834455
1-[2-(cyclopenten-1-yloxy)but-1-enoxy]cyclopentene
CID 57175579
ethyl (Z)-2-(cyclopentene-1-carbonyl)but-2-enoate
CID 12736091
methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate
CID 57076411
(1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one
CID 70617483
2-methylprop-2-enoxymethyl (Z)-2,3-di(cyclopenten-1-yl)prop-2-enoate
CID 164944024
cyclohexen-1-yl 5-ethoxypentanoate
CID 134561572
ethyl 3,3-di(cyclopenten-1-yl)-2-methyloxirane-2-carboxylate
CID 141368582

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate?
The IUPAC name of cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate (CID 175035282) is cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate.
What is the SMILES notation for cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate?
The canonical SMILES for cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate is CCOC(=CC1=CCCC1)C(=O)OC1=CCCC1.
What is the InChIKey of cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate?
The InChIKey is YCCJIDQRTMWBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-2-17-14(11-12-7-3-4-8-12)15(16)18-13-9-5-6-10-13/h7,9,11H,2-6,8,10H2,1H3.
What are the key properties of cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate?
cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate has a molecular weight of 248.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenten-1-yl 3-(cyclopenten-1-yl)-2-ethoxyprop-2-enoate is sourced from PubChem (CID 175035282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).