1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

C12H20O2 — CID 106656112

IUPAC1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)C1=CCCCC1
InChIInChI=1S/C12H20O2/c1-12(2,3)14-9-11(13)10-7-5-4-6-8-10/h7H,4-6,8-9H2,1-3H3
InChIKeyICXZDERDMOGZSM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.87
Rot. Bonds3

About 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone

1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 106656112) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID106656112
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)C1=CCCCC1
InChIInChI=1S/C12H20O2/c1-12(2,3)14-9-11(13)10-7-5-4-6-8-10/h7H,4-6,8-9H2,1-3H3
InChIKeyICXZDERDMOGZSM-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

Irisquinone
CID 5318483
Primin
CID 84800
3(2H)-Furanone, 5-methyl-2-octyl-
CID 529383
3(2H)-Furanone, 2-hexyl-5-methyl-
CID 566912
Pallasone A
CID 5928229
2-Methoxy-6-undecyl-1,4-benzoquinone
CID 44559530
2-Methoxy-6-pentadecylcyclohexa-2,5-diene-1,4-dione
CID 71345494
2-Methoxy-6-tridecyl-1,4-benzoquinone
CID 10087379
2,5-Dimethoxy-3-undecyl-[1,4]benzoquinone
CID 5086864
2,5-dimethoxy-3-[(8Z,11Z)-pentadeca-8,11,14-trienyl]cyclohexa-2,5-diene-1,4-dione
CID 21668690
2,5-Dimethoxy-3-tridecyl-[1,4]benzoquinone
CID 145696
5-ethoxy-2-hydroxy-3-[(8Z,11Z)-pentadeca-8,11,14-trien-1-yl]cyclohexa-2,5-diene-1,4-dione
CID 10667016

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 106656112) is 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is CC(C)(C)OCC(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is ICXZDERDMOGZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-12(2,3)14-9-11(13)10-7-5-4-6-8-10/h7H,4-6,8-9H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 196.29 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 106656112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).