(2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate

C18H28O6 — CID 175016133

IUPAC(2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate
SMILESCC(=O)OC1CCCCC1=O.CC(=O)OCCC1CCCCC1=O
InChIInChI=1S/C10H16O3.C8H12O3/c1-8(11)13-7-6-9-4-2-3-5-10(9)12;1-6(9)11-8-5-3-2-4-7(8)10/h9H,2-7H2,1H3;8H,2-5H2,1H3
InChIKeyJLMPPJFGRPKDSR-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.76
Rot. Bonds4

About (2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate

(2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate (PubChem CID 175016133) has the molecular formula C18H28O6 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate.

Molecular Properties

Compound Name(2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate
PubChem CID175016133
Molecular FormulaC18H28O6
Molecular Weight340.42 g/mol
Exact Mass340.19
IUPAC Name(2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate
SMILESCC(=O)OC1CCCCC1=O.CC(=O)OCCC1CCCCC1=O
InChIInChI=1S/C10H16O3.C8H12O3/c1-8(11)13-7-6-9-4-2-3-5-10(9)12;1-6(9)11-8-5-3-2-4-7(8)10/h9H,2-7H2,1H3;8H,2-5H2,1H3
InChIKeyJLMPPJFGRPKDSR-UHFFFAOYSA-N
XLogP2.76
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1S)-2-oxocyclohexyl]ethyl acetate
CID 20637814
3-(2-oxocyclohexyl)propyl acetate
CID 12573722
5-(2-oxocyclopentyl)pentyl acetate
CID 13131530
2-(5-tert-butyl-2-oxocyclohexyl)ethyl acetate
CID 144805650
[(3R)-3-(2-oxocyclopentyl)butyl] acetate
CID 134846660
2-[(2S)-7-oxooxepan-2-yl]ethyl acetate
CID 10867336
2-(3-methylbut-3-enyl)cyclohexan-1-one
CID 11217447
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentan-1-one
CID 104563945
2-(2-oxooxolan-3-yl)ethyl acetate
CID 11008384
[(1S,3S)-3-butyl-2-oxocyclohexyl] acetate
CID 71394316
(2-oxocyclopentyl) 2-methylpropanoate
CID 118886288
3-[(1R)-2-oxocyclododecyl]propanoic acid
CID 7018981

Frequently Asked Questions

What is the IUPAC name of (2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate?
The IUPAC name of (2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate (CID 175016133) is (2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate.
What is the SMILES notation for (2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate?
The canonical SMILES for (2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate is CC(=O)OC1CCCCC1=O.CC(=O)OCCC1CCCCC1=O.
What is the InChIKey of (2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate?
The InChIKey is JLMPPJFGRPKDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3.C8H12O3/c1-8(11)13-7-6-9-4-2-3-5-10(9)12;1-6(9)11-8-5-3-2-4-7(8)10/h9H,2-7H2,1H3;8H,2-5H2,1H3.
What are the key properties of (2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate?
(2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate has a molecular weight of 340.42 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclohexyl) acetate;2-(2-oxocyclohexyl)ethyl acetate is sourced from PubChem (CID 175016133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).