cyclohexen-1-yl-(1-methoxycyclopentyl)methanone

C13H20O2 — CID 106652203

IUPACcyclohexen-1-yl-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)C2=CCCCC2)CCCC1
InChIInChI=1S/C13H20O2/c1-15-13(9-5-6-10-13)12(14)11-7-3-2-4-8-11/h7H,2-6,8-10H2,1H3
InChIKeyXDDPKDGVIOENHE-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.02
Rot. Bonds3

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

cyclohexen-1-yl-(1-methoxycyclopentyl)methanone (PubChem CID 106652203) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclohexen-1-yl-(1-methoxycyclopentyl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl-(1-methoxycyclopentyl)methanone
PubChem CID106652203
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namecyclohexen-1-yl-(1-methoxycyclopentyl)methanone
SMILESCOC1(C(=O)C2=CCCCC2)CCCC1
InChIInChI=1S/C13H20O2/c1-15-13(9-5-6-10-13)12(14)11-7-3-2-4-8-11/h7H,2-6,8-10H2,1H3
InChIKeyXDDPKDGVIOENHE-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.02
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
1-(Cyclohexen-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106656112
1-Methoxybicyclo[2.2.2]octenone
CID 129668738
Methoxytetrahydroindanone
CID 129813799
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
3-(6-Methoxy-2,6-dimethylheptyl)cyclopent-2-en-1-one
CID 13888150
1,4-Dihydro-6-methoxy-1,4-methanonaphthalene-5,8-dione
CID 19710581

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl-(1-methoxycyclopentyl)methanone?
The IUPAC name of cyclohexen-1-yl-(1-methoxycyclopentyl)methanone (CID 106652203) is cyclohexen-1-yl-(1-methoxycyclopentyl)methanone.
What is the SMILES notation for cyclohexen-1-yl-(1-methoxycyclopentyl)methanone?
The canonical SMILES for cyclohexen-1-yl-(1-methoxycyclopentyl)methanone is COC1(C(=O)C2=CCCCC2)CCCC1.
What is the InChIKey of cyclohexen-1-yl-(1-methoxycyclopentyl)methanone?
The InChIKey is XDDPKDGVIOENHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-15-13(9-5-6-10-13)12(14)11-7-3-2-4-8-11/h7H,2-6,8-10H2,1H3.
What are the key properties of cyclohexen-1-yl-(1-methoxycyclopentyl)methanone?
cyclohexen-1-yl-(1-methoxycyclopentyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 3.02, 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-methoxycyclopentyl)methanone is sourced from PubChem (CID 106652203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).