(1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate

C16H24O3 — CID 89484798

IUPAC(1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate
SMILESCCC1=CC=CC(OCC(=O)OC2(C)CCCC2)C1
InChIInChI=1S/C16H24O3/c1-3-13-7-6-8-14(11-13)18-12-15(17)19-16(2)9-4-5-10-16/h6-8,14H,3-5,9-12H2,1-2H3
InChIKeyUQQFPDCNCIIKBT-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.54
Rot. Bonds5

About (1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate

(1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate (PubChem CID 89484798) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate
PubChem CID89484798
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate
SMILESCCC1=CC=CC(OCC(=O)OC2(C)CCCC2)C1
InChIInChI=1S/C16H24O3/c1-3-13-7-6-8-14(11-13)18-12-15(17)19-16(2)9-4-5-10-16/h6-8,14H,3-5,9-12H2,1-2H3
InChIKeyUQQFPDCNCIIKBT-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate?
The IUPAC name of (1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate (CID 89484798) is (1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate.
What is the SMILES notation for (1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate?
The canonical SMILES for (1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate is CCC1=CC=CC(OCC(=O)OC2(C)CCCC2)C1.
What is the InChIKey of (1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate?
The InChIKey is UQQFPDCNCIIKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-13-7-6-8-14(11-13)18-12-15(17)19-16(2)9-4-5-10-16/h6-8,14H,3-5,9-12H2,1-2H3.
What are the key properties of (1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate?
(1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate has a molecular weight of 264.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 2-(5-ethylcyclohexa-2,4-dien-1-yl)oxyacetate is sourced from PubChem (CID 89484798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).