1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one

C11H18O2 — CID 106652034

IUPAC1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)C1=CCCCC1
InChIInChI=1S/C11H18O2/c1-11(2,13-3)10(12)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
InChIKeySBZFXYAOFDRKNW-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.48
Rot. Bonds3

About 1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one

1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 106652034) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID106652034
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)C1=CCCCC1
InChIInChI=1S/C11H18O2/c1-11(2,13-3)10(12)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3
InChIKeySBZFXYAOFDRKNW-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Irisquinone
CID 5318483
Primin
CID 84800
Pallasone A
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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-Cyclohexadiene-1,4-dione, 2-butyl-6-methoxy-
CID 3017085
3-Decyl-2,5-dimethoxycyclohexa-2,5-diene-1,4-dione
CID 46189193
2,5-Dimethoxy-3-hexyl-2,5-cyclohexadiene-1,4-dione
CID 118733915
2,5-Dimethoxy-3-octylcyclohexa-2,5-diene-1,4-dione
CID 118733916
2-[(Z)-dodec-5-enyl]-6-methoxycyclohexa-2,5-diene-1,4-dione
CID 118736753

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one (CID 106652034) is 1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is SBZFXYAOFDRKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-11(2,13-3)10(12)9-7-5-4-6-8-9/h7H,4-6,8H2,1-3H3.
What are the key properties of 1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one?
1-(cyclohexen-1-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 182.26 g/mol, XLogP of 2.48, 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-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 106652034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).