(5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one

C10H14O2 — CID 10419538

IUPAC(5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one
SMILESC/C=C1/CC(C)=C(OCC)C1=O
InChIInChI=1S/C10H14O2/c1-4-8-6-7(3)10(9(8)11)12-5-2/h4H,5-6H2,1-3H3/b8-4-
InChIKeyKKJILFAFAWKESU-YWEYNIOJSA-N
MW166.22 g/mol
LogP2.22
Rot. Bonds2

About (5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one

(5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one (PubChem CID 10419538) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one
PubChem CID10419538
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one
SMILESC/C=C1/CC(C)=C(OCC)C1=O
InChIInChI=1S/C10H14O2/c1-4-8-6-7(3)10(9(8)11)12-5-2/h4H,5-6H2,1-3H3/b8-4-
InChIKeyKKJILFAFAWKESU-YWEYNIOJSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Acetyl-2,5-dimethyl-3(2H)-furanone
CID 53426546
Anserinone A
CID 177381
3-Methyl-2-(pentyloxy)cyclopent-2-en-1-one
CID 111783
Lztwxxjtdlqtat-uhfffaoysa-
CID 21592367
2,5-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-
CID 3017085
2-Ethoxycyclohex-2-en-1-one
CID 121598
2-Methoxy-6-propylcyclohexa-2,5-diene-1,4-dione
CID 3084231
2,3-Dimethoxy-5-propylcyclohexa-2,5-diene-1,4-dione
CID 12451938
2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-(2-propenyl)-
CID 5001295
5-(4,8-Dimethyl-nona-3,7-dienyl)-2,3-dimethoxy-[1,4]benzoquinone
CID 15956537
2,3-Dimethoxy-5-(4-methylpent-3-enyl)-1,4-benzoquinone
CID 15956541
2-Methoxy-6-prenyl-1,4-benzoquinone
CID 14636492

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one?
The IUPAC name of (5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one (CID 10419538) is (5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one?
The canonical SMILES for (5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one is C/C=C1/CC(C)=C(OCC)C1=O.
What is the InChIKey of (5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one?
The InChIKey is KKJILFAFAWKESU-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H14O2/c1-4-8-6-7(3)10(9(8)11)12-5-2/h4H,5-6H2,1-3H3/b8-4-.
What are the key properties of (5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one?
(5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-ethoxy-5-ethylidene-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 10419538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).