cycloocten-1-yl(oxan-2-yl)methanone

C14H22O2 — CID 106655927

IUPACcycloocten-1-yl(oxan-2-yl)methanone
SMILESO=C(C1=CCCCCCC1)C1CCCCO1
InChIInChI=1S/C14H22O2/c15-14(13-10-6-7-11-16-13)12-8-4-2-1-3-5-9-12/h8,13H,1-7,9-11H2
InChIKeyHXVZMHKROUMRKY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.41
Rot. Bonds2

About cycloocten-1-yl(oxan-2-yl)methanone

cycloocten-1-yl(oxan-2-yl)methanone (PubChem CID 106655927) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is cycloocten-1-yl(oxan-2-yl)methanone.

Molecular Properties

Compound Namecycloocten-1-yl(oxan-2-yl)methanone
PubChem CID106655927
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namecycloocten-1-yl(oxan-2-yl)methanone
SMILESO=C(C1=CCCCCCC1)C1CCCCO1
InChIInChI=1S/C14H22O2/c15-14(13-10-6-7-11-16-13)12-8-4-2-1-3-5-9-12/h8,13H,1-7,9-11H2
InChIKeyHXVZMHKROUMRKY-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 84800
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CID 183882
6-Dodecyl-2-methoxy-1,4-benzoquinone
CID 193384
2-Decyl-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 10084963
2-Methoxy-6-nonyl-1,4-benzoquinone
CID 131309
(Cyclohex-1-en-1-yl)(3,4-dihydro-2H-pyran-6-yl)methanone
CID 16115537
2-Propanone, 1-(1-cyclohexen-1-yl)-3-ethoxy-
CID 316619
Methanone, 1-cyclopenten-1-yl(3,4-dihydro-2H-pyran-6-yl)-
CID 11367327
[2-(Cyclohexen-1-yl)-2-oxoethyl] acetate
CID 12431603
1-(1-Cyclohexenyl)-2-ethoxyprop-2-en-1-one
CID 24975460
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylideneoctan-1-one
CID 25223925

Frequently Asked Questions

What is the IUPAC name of cycloocten-1-yl(oxan-2-yl)methanone?
The IUPAC name of cycloocten-1-yl(oxan-2-yl)methanone (CID 106655927) is cycloocten-1-yl(oxan-2-yl)methanone.
What is the SMILES notation for cycloocten-1-yl(oxan-2-yl)methanone?
The canonical SMILES for cycloocten-1-yl(oxan-2-yl)methanone is O=C(C1=CCCCCCC1)C1CCCCO1.
What is the InChIKey of cycloocten-1-yl(oxan-2-yl)methanone?
The InChIKey is HXVZMHKROUMRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c15-14(13-10-6-7-11-16-13)12-8-4-2-1-3-5-9-12/h8,13H,1-7,9-11H2.
What are the key properties of cycloocten-1-yl(oxan-2-yl)methanone?
cycloocten-1-yl(oxan-2-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-yl(oxan-2-yl)methanone is sourced from PubChem (CID 106655927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).