1-(cycloocten-1-yl)-2-methoxypentan-1-one

C14H24O2 — CID 106652220

IUPAC1-(cycloocten-1-yl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)C1=CCCCCCC1
InChIInChI=1S/C14H24O2/c1-3-9-13(16-2)14(15)12-10-7-5-4-6-8-11-12/h10,13H,3-9,11H2,1-2H3
InChIKeyVMDUXBOKURASOM-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.65
Rot. Bonds5

About 1-(cycloocten-1-yl)-2-methoxypentan-1-one

1-(cycloocten-1-yl)-2-methoxypentan-1-one (PubChem CID 106652220) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 1-(cycloocten-1-yl)-2-methoxypentan-1-one.

Molecular Properties

Compound Name1-(cycloocten-1-yl)-2-methoxypentan-1-one
PubChem CID106652220
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name1-(cycloocten-1-yl)-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)C1=CCCCCCC1
InChIInChI=1S/C14H24O2/c1-3-9-13(16-2)14(15)12-10-7-5-4-6-8-11-12/h10,13H,3-9,11H2,1-2H3
InChIKeyVMDUXBOKURASOM-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclohexen-1-yl)-2-ethoxypentan-1-one
CID 106652219
1-(cyclohepten-1-yl)-3-methylhexan-1-one
CID 103450521
1-(cyclopenten-1-yl)-2,2-diethoxyethanone
CID 55269182
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
ethyl cycloundecene-1-carboxylate
CID 154164177
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
methyl cyclododecene-1-carboxylate
CID 54564642
2-(aminomethyl)-1-(cycloocten-1-yl)-3-methylbutan-1-one
CID 106655359
1-(cyclohexen-1-yl)-3-methylpentan-1-one
CID 114874040
ethyl 2-(cyclohepten-1-yl)-2-oxoacetate
CID 14387210

Frequently Asked Questions

What is the IUPAC name of 1-(cycloocten-1-yl)-2-methoxypentan-1-one?
The IUPAC name of 1-(cycloocten-1-yl)-2-methoxypentan-1-one (CID 106652220) is 1-(cycloocten-1-yl)-2-methoxypentan-1-one.
What is the SMILES notation for 1-(cycloocten-1-yl)-2-methoxypentan-1-one?
The canonical SMILES for 1-(cycloocten-1-yl)-2-methoxypentan-1-one is CCCC(OC)C(=O)C1=CCCCCCC1.
What is the InChIKey of 1-(cycloocten-1-yl)-2-methoxypentan-1-one?
The InChIKey is VMDUXBOKURASOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-9-13(16-2)14(15)12-10-7-5-4-6-8-11-12/h10,13H,3-9,11H2,1-2H3.
What are the key properties of 1-(cycloocten-1-yl)-2-methoxypentan-1-one?
1-(cycloocten-1-yl)-2-methoxypentan-1-one has a molecular weight of 224.34 g/mol, XLogP of 3.65, 5 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-methoxypentan-1-one is sourced from PubChem (CID 106652220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).