ethyl 2-oxocyclopentadecane-1-carboxylate

C18H32O3 — CID 12611313

IUPACethyl 2-oxocyclopentadecane-1-carboxylate
SMILESCCOC(=O)C1CCCCCCCCCCCCCC1=O
InChIInChI=1S/C18H32O3/c1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(16)19/h16H,2-15H2,1H3
InChIKeyXPSRWAQPRXUPQJ-UHFFFAOYSA-N
MW296.45 g/mol
LogP4.82
Rot. Bonds2

About ethyl 2-oxocyclopentadecane-1-carboxylate

ethyl 2-oxocyclopentadecane-1-carboxylate (PubChem CID 12611313) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 2-oxocyclopentadecane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxocyclopentadecane-1-carboxylate
PubChem CID12611313
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Nameethyl 2-oxocyclopentadecane-1-carboxylate
SMILESCCOC(=O)C1CCCCCCCCCCCCCC1=O
InChIInChI=1S/C18H32O3/c1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(16)19/h16H,2-15H2,1H3
InChIKeyXPSRWAQPRXUPQJ-UHFFFAOYSA-N
XLogP4.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Bis(2-ethylhexyl) azelate
CID 7642
Di-2-ethylhexyl sebacate
CID 31218
Cetearyl Ethylhexanoate
CID 42956
Diisooctyl Sebacate
CID 117949
Ethyl 2-acetyloctanoate
CID 121790
Isocetyl Stearate
CID 91410
2-Ethylhexyl stearate
CID 13132266
Ethyl 2-acetylhexanoate
CID 95466
Ethylhexyl Palmitate
CID 62851
Isocetyl Isostearate
CID 104050
Dodecanoic acid, 2-ethylhexyl ester
CID 89309
Isopropyl Isostearate
CID 94625

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxocyclopentadecane-1-carboxylate?
The IUPAC name of ethyl 2-oxocyclopentadecane-1-carboxylate (CID 12611313) is ethyl 2-oxocyclopentadecane-1-carboxylate.
What is the SMILES notation for ethyl 2-oxocyclopentadecane-1-carboxylate?
The canonical SMILES for ethyl 2-oxocyclopentadecane-1-carboxylate is CCOC(=O)C1CCCCCCCCCCCCCC1=O.
What is the InChIKey of ethyl 2-oxocyclopentadecane-1-carboxylate?
The InChIKey is XPSRWAQPRXUPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-2-21-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17(16)19/h16H,2-15H2,1H3.
What are the key properties of ethyl 2-oxocyclopentadecane-1-carboxylate?
ethyl 2-oxocyclopentadecane-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxocyclopentadecane-1-carboxylate is sourced from PubChem (CID 12611313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).