7-ethyl-oxacycloheptadecane-2,17-dione

C18H32O3 — CID 151850633

IUPAC7-ethyl-oxacycloheptadecane-2,17-dione
SMILESCCC1CCCCCCCCCC(=O)OC(=O)CCCC1
InChIInChI=1S/C18H32O3/c1-2-16-12-8-6-4-3-5-7-9-14-17(19)21-18(20)15-11-10-13-16/h16H,2-15H2,1H3
InChIKeySIPJONPAGVTKGU-UHFFFAOYSA-N
MW296.45 g/mol
LogP5.17
Rot. Bonds1

About 7-ethyl-oxacycloheptadecane-2,17-dione

7-ethyl-oxacycloheptadecane-2,17-dione (PubChem CID 151850633) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 7-ethyl-oxacycloheptadecane-2,17-dione.

Molecular Properties

Compound Name7-ethyl-oxacycloheptadecane-2,17-dione
PubChem CID151850633
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name7-ethyl-oxacycloheptadecane-2,17-dione
SMILESCCC1CCCCCCCCCC(=O)OC(=O)CCCC1
InChIInChI=1S/C18H32O3/c1-2-16-12-8-6-4-3-5-7-9-14-17(19)21-18(20)15-11-10-13-16/h16H,2-15H2,1H3
InChIKeySIPJONPAGVTKGU-UHFFFAOYSA-N
XLogP5.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.45
LogP ≤ 55.17
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

6-ethylcyclodecan-1-one
CID 18176981
oxacyclododecane-2,12-dione
CID 14785770
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
3-ethylcyclononan-1-one
CID 70178778
(9R)-9-ethyloxonan-2-one
CID 54340758
16-ethyl-oxacyclohexadecan-2-one
CID 71324140
ethylcyclooctane;fluoromethane
CID 174962953
ethylcyclopentane;methane
CID 143390575
tris(ethylcyclopentane);gadolinium
CID 160752471
chromium;bis(ethylcyclopentane)
CID 91996240
ethane;bis(ethylcyclopentane)
CID 158911237
4-ethylcycloheptan-1-one
CID 15698158

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-oxacycloheptadecane-2,17-dione?
The IUPAC name of 7-ethyl-oxacycloheptadecane-2,17-dione (CID 151850633) is 7-ethyl-oxacycloheptadecane-2,17-dione.
What is the SMILES notation for 7-ethyl-oxacycloheptadecane-2,17-dione?
The canonical SMILES for 7-ethyl-oxacycloheptadecane-2,17-dione is CCC1CCCCCCCCCC(=O)OC(=O)CCCC1.
What is the InChIKey of 7-ethyl-oxacycloheptadecane-2,17-dione?
The InChIKey is SIPJONPAGVTKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O3/c1-2-16-12-8-6-4-3-5-7-9-14-17(19)21-18(20)15-11-10-13-16/h16H,2-15H2,1H3.
What are the key properties of 7-ethyl-oxacycloheptadecane-2,17-dione?
7-ethyl-oxacycloheptadecane-2,17-dione has a molecular weight of 296.45 g/mol, XLogP of 5.17, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-oxacycloheptadecane-2,17-dione is sourced from PubChem (CID 151850633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).