[1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate

C20H26O5 — CID 90985288

IUPAC[1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate
SMILESC=C(C)C(=O)C1C=C(OC(C)(OC(=O)C=CC)OC2=CCCC2)CC1
InChIInChI=1S/C20H26O5/c1-5-8-18(21)25-20(4,23-16-9-6-7-10-16)24-17-12-11-15(13-17)19(22)14(2)3/h5,8-9,13,15H,2,6-7,10-12H2,1,3-4H3
InChIKeyKMZOUQUWXAGBQE-UHFFFAOYSA-N
MW346.42 g/mol
LogP4.32
Rot. Bonds8

About [1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate

[1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate (PubChem CID 90985288) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is [1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate.

Molecular Properties

Compound Name[1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate
PubChem CID90985288
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name[1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate
SMILESC=C(C)C(=O)C1C=C(OC(C)(OC(=O)C=CC)OC2=CCCC2)CC1
InChIInChI=1S/C20H26O5/c1-5-8-18(21)25-20(4,23-16-9-6-7-10-16)24-17-12-11-15(13-17)19(22)14(2)3/h5,8-9,13,15H,2,6-7,10-12H2,1,3-4H3
InChIKeyKMZOUQUWXAGBQE-UHFFFAOYSA-N
XLogP4.32
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[3-Methoxy-2-(3-methyl-4-oxopent-1-en-2-yl)-5-oxofuran-2-yl] acetate
CID 57218398
Carvone acrylate
CID 140773107
(7E,11E)-5-(2,2-dimethyl-6-oxo-1,3-dioxin-4-yl)-8,12,16-trimethylheptadeca-7,11,15-triene-2,4-dione
CID 138970034
(7R)-2,2-dimethyl-7-[4-(3-oxocyclopenten-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 101642971
dicyclopenten-1-yl (E)-2-(2-ethylhexyl)but-2-enedioate
CID 70432704
bis(5-propylcyclopentene-1-carbonyl) (Z)-but-2-enedioate
CID 87075997
methyl (2E)-2-[(2-cyclopentyl-4-methyl-5-oxofuran-2-yl)oxymethylidene]but-3-enoate
CID 163263381
2,2-dimethyl-7-[4-(3-oxocyclopenten-1-yl)butyl]-6,7-dihydro-5H-cyclopenta[d][1,3]dioxin-4-one
CID 10447763
2,4-Diethyl-2-(2-methylhexyl)-8-(2-methylpropyl)-1,6-dioxaspiro[4.4]nona-3,8-dien-7-one
CID 163116256
(2S,5R)-2,4-diethyl-2-(2-methylhexyl)-8-(2-methylpropyl)-1,6-dioxaspiro[4.4]nona-3,8-dien-7-one
CID 163116257

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate?
The IUPAC name of [1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate (CID 90985288) is [1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate.
What is the SMILES notation for [1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate?
The canonical SMILES for [1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate is C=C(C)C(=O)C1C=C(OC(C)(OC(=O)C=CC)OC2=CCCC2)CC1.
What is the InChIKey of [1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate?
The InChIKey is KMZOUQUWXAGBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-5-8-18(21)25-20(4,23-16-9-6-7-10-16)24-17-12-11-15(13-17)19(22)14(2)3/h5,8-9,13,15H,2,6-7,10-12H2,1,3-4H3.
What are the key properties of [1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate?
[1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate has a molecular weight of 346.42 g/mol, XLogP of 4.32, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopenten-1-yloxy)-1-[3-(2-methylprop-2-enoyl)cyclopenten-1-yl]oxyethyl] but-2-enoate is sourced from PubChem (CID 90985288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).