2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one

C13H18O2 — CID 134840234

IUPAC2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one
SMILESC[C@@H](OC1=CCCCC1=O)C1=CCCC1
InChIInChI=1S/C13H18O2/c1-10(11-6-2-3-7-11)15-13-9-5-4-8-12(13)14/h6,9-10H,2-5,7-8H2,1H3/t10-/m1/s1
InChIKeyVNUCYIXTLQXMFU-SNVBAGLBSA-N
MW206.28 g/mol
LogP3.14
Rot. Bonds3

About 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one

2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one (PubChem CID 134840234) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one
PubChem CID134840234
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one
SMILESC[C@@H](OC1=CCCCC1=O)C1=CCCC1
InChIInChI=1S/C13H18O2/c1-10(11-6-2-3-7-11)15-13-9-5-4-8-12(13)14/h6,9-10H,2-5,7-8H2,1H3/t10-/m1/s1
InChIKeyVNUCYIXTLQXMFU-SNVBAGLBSA-N
XLogP3.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Allyloxy-cyclohex-2-en-1-one
CID 11829642
3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one
CID 11240994
3-Butyl-5-(ethoxymethyl)-2-methoxycyclohexa-2,5-diene-1,4-dione
CID 14689921
2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one
CID 15535735
3-methyl-2-[(2R)-3-methylbut-3-en-2-yl]oxycyclopent-2-en-1-one
CID 15536114
3-methyl-2-[(2R)-3-methylbut-3-en-2-yl]oxycyclohex-2-en-1-one
CID 15536115
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylidenepentan-1-one
CID 85991138
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylidenehexan-1-one
CID 85991139
3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one
CID 101049557
3-(3-Methylbut-2-enoxy)cyclohex-2-en-1-one
CID 102168115
(7E)-7-(methoxymethylidene)-8-oxabicyclo[3.2.1]oct-3-en-2-one
CID 102250742
2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one
CID 134859070

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one?
The IUPAC name of 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one (CID 134840234) is 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one.
What is the SMILES notation for 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one?
The canonical SMILES for 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one is C[C@@H](OC1=CCCCC1=O)C1=CCCC1.
What is the InChIKey of 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one?
The InChIKey is VNUCYIXTLQXMFU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(11-6-2-3-7-11)15-13-9-5-4-8-12(13)14/h6,9-10H,2-5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one?
2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one is sourced from PubChem (CID 134840234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).