cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone

C11H16O2 — CID 114824782

IUPACcyclopenten-1-yl-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)C2=CCCC2)CO1
InChIInChI=1S/C11H16O2/c1-8-6-10(7-13-8)11(12)9-4-2-3-5-9/h4,8,10H,2-3,5-7H2,1H3
InChIKeyOVSXTWNQPCULBI-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.09
Rot. Bonds2

About cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone

cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone (PubChem CID 114824782) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Namecyclopenten-1-yl-(5-methyloxolan-3-yl)methanone
PubChem CID114824782
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Namecyclopenten-1-yl-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)C2=CCCC2)CO1
InChIInChI=1S/C11H16O2/c1-8-6-10(7-13-8)11(12)9-4-2-3-5-9/h4,8,10H,2-3,5-7H2,1H3
InChIKeyOVSXTWNQPCULBI-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
(E,2S)-2-[(2S,5R)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-4-en-3-one
CID 102441804
1,10-Epoxygermacrone
CID 15139241
(1S,6E,10R)-1,7-dimethyl-4-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-3-one
CID 86279072
1,5,9-Trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one
CID 74423110
(1R,6Z,10S)-1,7-dimethyl-4-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-3-one
CID 101664155
(1R,6E,10S)-1,7-dimethyl-4-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-3-one
CID 162879791
(E,2S)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-4-en-3-one
CID 102441805
1-(8-Methylidene-1,3,3a,4,7,8a-hexahydrocyclohepta[c]furan-6-yl)ethanone
CID 139262195
1,7-Dimethyl-4-(1-methylethylidene)-11-oxabicyclo[8.1.0]undec-6-en-3-one
CID 71438104
(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

Frequently Asked Questions

What is the IUPAC name of cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone?
The IUPAC name of cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone (CID 114824782) is cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)C2=CCCC2)CO1.
What is the InChIKey of cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone?
The InChIKey is OVSXTWNQPCULBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-6-10(7-13-8)11(12)9-4-2-3-5-9/h4,8,10H,2-3,5-7H2,1H3.
What are the key properties of cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone?
cyclopenten-1-yl-(5-methyloxolan-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 cyclopenten-1-yl-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 114824782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).