cyclohexen-1-yl-(1-methoxycyclobutyl)methanone

C12H18O2 — CID 106652210

IUPACcyclohexen-1-yl-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)C2=CCCCC2)CCC1
InChIInChI=1S/C12H18O2/c1-14-12(8-5-9-12)11(13)10-6-3-2-4-7-10/h6H,2-5,7-9H2,1H3
InChIKeyIVMNCMBGOZSVGS-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.62
Rot. Bonds3

About cyclohexen-1-yl-(1-methoxycyclobutyl)methanone

cyclohexen-1-yl-(1-methoxycyclobutyl)methanone (PubChem CID 106652210) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is cyclohexen-1-yl-(1-methoxycyclobutyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(1-methoxycyclobutyl)methanone
PubChem CID106652210
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namecyclohexen-1-yl-(1-methoxycyclobutyl)methanone
SMILESCOC1(C(=O)C2=CCCCC2)CCC1
InChIInChI=1S/C12H18O2/c1-14-12(8-5-9-12)11(13)10-6-3-2-4-7-10/h6H,2-5,7-9H2,1H3
InChIKeyIVMNCMBGOZSVGS-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Primin
CID 84800
2,5-Cyclohexadiene-1,4-dione, 2-heptyl-6-methoxy-
CID 183882
5-Heptyl-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183878
5-Methoxy-2-methyl-3-(9,11,13,15-tetramethylheptadecyl)cyclohexa-2,5-diene-1,4-dione
CID 71434663
3-Butyl-4-methoxy-2-propan-2-yl-4-prop-1-en-2-ylcyclobut-2-en-1-one
CID 10082847
1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
1-Methoxybicyclo[2.2.2]octenone
CID 129668738
2-Methoxy-5-methyl-6-(13-methyltetradecyl)-1,4-benzoquinone
CID 177860815
Bbbfciwralhcai-uhfffaoysa-
CID 12129273
3-(3-Methoxy-3-methylbutyl)-5-methylcyclohex-5-en-1-one
CID 10899886
8-Butyl-6-methoxybicyclo[4.2.0]oct-2-en-7-one
CID 23051897
2-Methoxy-6-octylcyclohexa-2,5-diene-1,4-dione
CID 85687418

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(1-methoxycyclobutyl)methanone?
The IUPAC name of cyclohexen-1-yl-(1-methoxycyclobutyl)methanone (CID 106652210) is cyclohexen-1-yl-(1-methoxycyclobutyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(1-methoxycyclobutyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(1-methoxycyclobutyl)methanone is COC1(C(=O)C2=CCCCC2)CCC1.
What is the InChIKey of cyclohexen-1-yl-(1-methoxycyclobutyl)methanone?
The InChIKey is IVMNCMBGOZSVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-14-12(8-5-9-12)11(13)10-6-3-2-4-7-10/h6H,2-5,7-9H2,1H3.
What are the key properties of cyclohexen-1-yl-(1-methoxycyclobutyl)methanone?
cyclohexen-1-yl-(1-methoxycyclobutyl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl-(1-methoxycyclobutyl)methanone is sourced from PubChem (CID 106652210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).