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

C17H26O3 — CID 138598665

IUPAC(1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate
SMILESCC(C)C1=CC=CC(OCC(=O)OC2(C)CCCC2)C1
InChIInChI=1S/C17H26O3/c1-13(2)14-7-6-8-15(11-14)19-12-16(18)20-17(3)9-4-5-10-17/h6-8,13,15H,4-5,9-12H2,1-3H3
InChIKeyBSEAYLZHACKKON-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.79
Rot. Bonds5

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

(1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate (PubChem CID 138598665) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate
PubChem CID138598665
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate
SMILESCC(C)C1=CC=CC(OCC(=O)OC2(C)CCCC2)C1
InChIInChI=1S/C17H26O3/c1-13(2)14-7-6-8-15(11-14)19-12-16(18)20-17(3)9-4-5-10-17/h6-8,13,15H,4-5,9-12H2,1-3H3
InChIKeyBSEAYLZHACKKON-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.79
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-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate?
The IUPAC name of (1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate (CID 138598665) is (1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate.
What is the SMILES notation for (1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate?
The canonical SMILES for (1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate is CC(C)C1=CC=CC(OCC(=O)OC2(C)CCCC2)C1.
What is the InChIKey of (1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate?
The InChIKey is BSEAYLZHACKKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c1-13(2)14-7-6-8-15(11-14)19-12-16(18)20-17(3)9-4-5-10-17/h6-8,13,15H,4-5,9-12H2,1-3H3.
What are the key properties of (1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate?
(1-methylcyclopentyl) 2-(5-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate has a molecular weight of 278.39 g/mol, XLogP of 3.79, 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-propan-2-ylcyclohexa-2,4-dien-1-yl)oxyacetate is sourced from PubChem (CID 138598665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).