cyclohexen-1-yl-(1-methoxycyclohexyl)methanone

C14H22O2 — CID 106652258

IUPACcyclohexen-1-yl-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCC2)CCCCC1
InChIInChI=1S/C14H22O2/c1-16-14(10-6-3-7-11-14)13(15)12-8-4-2-5-9-12/h8H,2-7,9-11H2,1H3
InChIKeyJNQZOVQCLFMLCY-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.41
Rot. Bonds3

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

cyclohexen-1-yl-(1-methoxycyclohexyl)methanone (PubChem CID 106652258) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is cyclohexen-1-yl-(1-methoxycyclohexyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(1-methoxycyclohexyl)methanone
PubChem CID106652258
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namecyclohexen-1-yl-(1-methoxycyclohexyl)methanone
SMILESCOC1(C(=O)C2=CCCCC2)CCCCC1
InChIInChI=1S/C14H22O2/c1-16-14(10-6-3-7-11-14)13(15)12-8-4-2-5-9-12/h8H,2-7,9-11H2,1H3
InChIKeyJNQZOVQCLFMLCY-UHFFFAOYSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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-(Cyclohexylmethyl)-3-methoxy-2-propan-2-ylcyclohexa-2,5-diene-1,4-dione
CID 122183879
(3R,4aS,5S)-3-methoxy-3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-one
CID 14287066
5-Methoxy-2-methyl-3-(9,11,13,15-tetramethylheptadecyl)cyclohexa-2,5-diene-1,4-dione
CID 71434663
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)prop-2-en-1-one
CID 85991140
1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
1-Methoxybicyclo[2.2.2]octenone
CID 129668738
3,4-dihydro-2H-pyran-6-yl-[(5R)-5-prop-1-en-2-ylcyclohexen-1-yl]methanone
CID 135078289
2-Cyclohex-2-en-1-yl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
CID 138981699
2-Methoxy-5-methyl-6-(13-methyltetradecyl)-1,4-benzoquinone
CID 177860815

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(1-methoxycyclohexyl)methanone?
The IUPAC name of cyclohexen-1-yl-(1-methoxycyclohexyl)methanone (CID 106652258) is cyclohexen-1-yl-(1-methoxycyclohexyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(1-methoxycyclohexyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(1-methoxycyclohexyl)methanone is COC1(C(=O)C2=CCCCC2)CCCCC1.
What is the InChIKey of cyclohexen-1-yl-(1-methoxycyclohexyl)methanone?
The InChIKey is JNQZOVQCLFMLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-16-14(10-6-3-7-11-14)13(15)12-8-4-2-5-9-12/h8H,2-7,9-11H2,1H3.
What are the key properties of cyclohexen-1-yl-(1-methoxycyclohexyl)methanone?
cyclohexen-1-yl-(1-methoxycyclohexyl)methanone has a molecular weight of 222.33 g/mol, XLogP of 3.41, 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-methoxycyclohexyl)methanone is sourced from PubChem (CID 106652258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).