2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one

C13H18O2 — CID 134859165

IUPAC2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O[C@H](C)C2=CCCC2)C(=O)CC1
InChIInChI=1S/C13H18O2/c1-9-7-8-12(14)13(9)15-10(2)11-5-3-4-6-11/h5,10H,3-4,6-8H2,1-2H3/t10-/m1/s1
InChIKeyKATRHRCSTYQFPW-SNVBAGLBSA-N
MW206.28 g/mol
LogP3.14
Rot. Bonds3

About 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one

2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one (PubChem CID 134859165) 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]-3-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one
PubChem CID134859165
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one
SMILESCC1=C(O[C@H](C)C2=CCCC2)C(=O)CC1
InChIInChI=1S/C13H18O2/c1-9-7-8-12(14)13(9)15-10(2)11-5-3-4-6-11/h5,10H,3-4,6-8H2,1-2H3/t10-/m1/s1
InChIKeyKATRHRCSTYQFPW-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

3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one
CID 11240994
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
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
2-[(1R)-1-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one
CID 134840234
2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one
CID 134859070
(Z)-2-(Hex-3-enyloxy)-3-methylcyclopent-2-en-1-one
CID 20836221
2-(2-Methylprop-2-enoxy)cyclohex-2-en-1-one
CID 13213076
3-Methyl-4-pent-1-enoxy-2-prop-2-enylcyclopent-2-en-1-one
CID 57215908
3-(Butan-2-yloxymethyl)cyclopent-2-en-1-one
CID 58743242

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one?
The IUPAC name of 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one (CID 134859165) is 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one.
What is the SMILES notation for 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one?
The canonical SMILES for 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one is CC1=C(O[C@H](C)C2=CCCC2)C(=O)CC1.
What is the InChIKey of 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one?
The InChIKey is KATRHRCSTYQFPW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18O2/c1-9-7-8-12(14)13(9)15-10(2)11-5-3-4-6-11/h5,10H,3-4,6-8H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-2-en-1-one?
2-[(1R)-1-(cyclopenten-1-yl)ethoxy]-3-methylcyclopent-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]-3-methylcyclopent-2-en-1-one is sourced from PubChem (CID 134859165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).