cyclohexen-1-yl(oxolan-3-yl)methanone

C11H16O2 — CID 62077800

IUPACcyclohexen-1-yl(oxolan-3-yl)methanone
SMILESO=C(C1=CCCCC1)C1CCOC1
InChIInChI=1S/C11H16O2/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h4,10H,1-3,5-8H2
InChIKeyYBAMTTUJLFXYBS-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds2

About cyclohexen-1-yl(oxolan-3-yl)methanone

cyclohexen-1-yl(oxolan-3-yl)methanone (PubChem CID 62077800) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclohexen-1-yl(oxolan-3-yl)methanone.

Molecular Properties

Compound Namecyclohexen-1-yl(oxolan-3-yl)methanone
PubChem CID62077800
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namecyclohexen-1-yl(oxolan-3-yl)methanone
SMILESO=C(C1=CCCCC1)C1CCOC1
InChIInChI=1S/C11H16O2/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h4,10H,1-3,5-8H2
InChIKeyYBAMTTUJLFXYBS-UHFFFAOYSA-N
XLogP2.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Leptodienone B
CID 25110933
Leptodienone A
CID 25110932
1,5,9-Trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one
CID 74423110
4-Tetrahydropyranyl-cyclopent-2-enon
CID 129630412
1-(8-Methylidene-1,3,3a,4,7,8a-hexahydrocyclohepta[c]furan-6-yl)ethanone
CID 139262195
1-(8-Methylidene-1,3,3a,4,7,8a-hexahydrocyclohepta[c]furan-5-yl)ethanone
CID 139262218
(1R,4Z,8E,12R,14S)-1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one
CID 102412609
(1R,4E,8E,12R,14S)-1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one
CID 102412610
(1R,4E,12R,14R)-1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one
CID 162948448
(1R,12R,14R)-1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one
CID 162948449
Acetic acid, 1-cyclohexenyl-1-(1-cyclopenten-3-one-1-yl)-, ethyl ester
CID 600433
3-Cyclohexen-2-on-1-carboxylic acid, 1-methyl-3-(tetrahydrofuran-2-on-4-yl)methyl, methyl ester
CID 604894

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(oxolan-3-yl)methanone?
The IUPAC name of cyclohexen-1-yl(oxolan-3-yl)methanone (CID 62077800) is cyclohexen-1-yl(oxolan-3-yl)methanone.
What is the SMILES notation for cyclohexen-1-yl(oxolan-3-yl)methanone?
The canonical SMILES for cyclohexen-1-yl(oxolan-3-yl)methanone is O=C(C1=CCCCC1)C1CCOC1.
What is the InChIKey of cyclohexen-1-yl(oxolan-3-yl)methanone?
The InChIKey is YBAMTTUJLFXYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c12-11(10-6-7-13-8-10)9-4-2-1-3-5-9/h4,10H,1-3,5-8H2.
What are the key properties of cyclohexen-1-yl(oxolan-3-yl)methanone?
cyclohexen-1-yl(oxolan-3-yl)methanone has a molecular weight of 180.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(oxolan-3-yl)methanone is sourced from PubChem (CID 62077800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).