ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate

C22H32O3 — CID 10405245

IUPACethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate
SMILESCCOC(=O)CCC(Cc1ccc(OC)cc1)=C1CCCCCCC1
InChIInChI=1S/C22H32O3/c1-3-25-22(23)16-13-20(19-9-7-5-4-6-8-10-19)17-18-11-14-21(24-2)15-12-18/h11-12,14-15H,3-10,13,16-17H2,1-2H3
InChIKeyOQLOIOCSFCZDTE-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.62
Rot. Bonds7

About ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate

ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate (PubChem CID 10405245) has the molecular formula C22H32O3 and a molecular weight of 344.50 g/mol. Its IUPAC name is ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate.

Molecular Properties

Compound Nameethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate
PubChem CID10405245
Molecular FormulaC22H32O3
Molecular Weight344.50 g/mol
Exact Mass344.24
IUPAC Nameethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate
SMILESCCOC(=O)CCC(Cc1ccc(OC)cc1)=C1CCCCCCC1
InChIInChI=1S/C22H32O3/c1-3-25-22(23)16-13-20(19-9-7-5-4-6-8-10-19)17-18-11-14-21(24-2)15-12-18/h11-12,14-15H,3-10,13,16-17H2,1-2H3
InChIKeyOQLOIOCSFCZDTE-UHFFFAOYSA-N
XLogP5.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-cycloheptylidene-5-(4-methylphenyl)pentanoate
CID 10380946
4-cycloheptylidene-5-(4-methoxyphenyl)pentanenitrile
CID 10062390
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 7-(4-methoxyphenyl)-6,6-dimethylheptanoate
CID 23072391
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl 6-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenoxy]hexanoate
CID 46202250
ethyl 2-[2-(4-methoxyphenyl)ethanethioyl]sulfanylacetate
CID 14294104
ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate
CID 79848371
ethyl 4-[4-(2-amino-2-oxoethyl)phenoxy]butanoate
CID 156541530
[2-(4-methoxyphenyl)acetyl] pentanoate
CID 91448797
ethyl 4-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]anilino]-4-oxobutanoate
CID 42768638
ethyl 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butanoate
CID 19872410

Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate?
The IUPAC name of ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate (CID 10405245) is ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate.
What is the SMILES notation for ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate?
The canonical SMILES for ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate is CCOC(=O)CCC(Cc1ccc(OC)cc1)=C1CCCCCCC1.
What is the InChIKey of ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate?
The InChIKey is OQLOIOCSFCZDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3/c1-3-25-22(23)16-13-20(19-9-7-5-4-6-8-10-19)17-18-11-14-21(24-2)15-12-18/h11-12,14-15H,3-10,13,16-17H2,1-2H3.
What are the key properties of ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate?
ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate has a molecular weight of 344.50 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyclooctylidene-5-(4-methoxyphenyl)pentanoate is sourced from PubChem (CID 10405245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).