1-(cycloocten-1-yl)-2-ethoxyethanone

C12H20O2 — CID 106651939

IUPAC1-(cycloocten-1-yl)-2-ethoxyethanone
SMILESCCOCC(=O)C1=CCCCCCC1
InChIInChI=1S/C12H20O2/c1-2-14-10-12(13)11-8-6-4-3-5-7-9-11/h8H,2-7,9-10H2,1H3
InChIKeyANMFRZHQXKNWIY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.87
Rot. Bonds4

About 1-(cycloocten-1-yl)-2-ethoxyethanone

1-(cycloocten-1-yl)-2-ethoxyethanone (PubChem CID 106651939) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-ethoxyethanone.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-ethoxyethanone
PubChem CID106651939
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(cycloocten-1-yl)-2-ethoxyethanone
SMILESCCOCC(=O)C1=CCCCCCC1
InChIInChI=1S/C12H20O2/c1-2-14-10-12(13)11-8-6-4-3-5-7-9-11/h8H,2-7,9-10H2,1H3
InChIKeyANMFRZHQXKNWIY-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethoxy)-1-(cyclohexen-1-yl)ethanone
CID 106655526
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210
1-(cyclohexen-1-yl)-3-methylpentan-1-one
CID 114874040
1-(cyclohexen-1-yl)-2-diethoxyphosphorylselanylethanone
CID 100960928
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
3-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655124
cycloheptene-1-carboxamide
CID 22261654
2-tert-butylsulfanyl-1-(cyclohepten-1-yl)ethanone
CID 106651877
ethyl (6Z)-1-oxacyclopentadec-6-ene-7-carboxylate
CID 102299212
1-(cyclohepten-1-yl)-4-methoxy-4-methylpentan-1-one
CID 103450416
1-(cyclohepten-1-yl)-4-ethylsulfonylbutan-1-one
CID 103450590

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-ethoxyethanone?
The IUPAC name of 1-(cycloocten-1-yl)-2-ethoxyethanone (CID 106651939) is 1-(cycloocten-1-yl)-2-ethoxyethanone.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-ethoxyethanone?
The canonical SMILES for 1-(cycloocten-1-yl)-2-ethoxyethanone is CCOCC(=O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-ethoxyethanone?
The InChIKey is ANMFRZHQXKNWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-14-10-12(13)11-8-6-4-3-5-7-9-11/h8H,2-7,9-10H2,1H3.
What are the key properties of 1-(cycloocten-1-yl)-2-ethoxyethanone?
1-(cycloocten-1-yl)-2-ethoxyethanone has a molecular weight of 196.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cycloocten-1-yl)-2-ethoxyethanone is sourced from PubChem (CID 106651939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).