(5S)-2-ethoxy-5-methylcyclopent-2-en-1-one

C8H12O2 — CID 40526964

IUPAC(5S)-2-ethoxy-5-methylcyclopent-2-en-1-one
SMILESCCOC1=CC[C@H](C)C1=O
InChIInChI=1S/C8H12O2/c1-3-10-7-5-4-6(2)8(7)9/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyHOUZPOFRUOBMJM-LURJTMIESA-N
MW140.18 g/mol
LogP1.52
Rot. Bonds2

About (5S)-2-ethoxy-5-methylcyclopent-2-en-1-one

(5S)-2-ethoxy-5-methylcyclopent-2-en-1-one (PubChem CID 40526964) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (5S)-2-ethoxy-5-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5S)-2-ethoxy-5-methylcyclopent-2-en-1-one
PubChem CID40526964
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(5S)-2-ethoxy-5-methylcyclopent-2-en-1-one
SMILESCCOC1=CC[C@H](C)C1=O
InChIInChI=1S/C8H12O2/c1-3-10-7-5-4-6(2)8(7)9/h5-6H,3-4H2,1-2H3/t6-/m0/s1
InChIKeyHOUZPOFRUOBMJM-LURJTMIESA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methoxy-2-cyclopentene-1-one
CID 11768535
2-(2-Methylpropoxy)cyclopent-2-en-1-one
CID 12858359
Methoxy-5-methylcyclohex-2-enone
CID 129652246
2-Ethoxy-5-methylcyclopent-2-en-1-one
CID 3746604
2-(2-Methylpropoxy)cyclohex-2-en-1-one
CID 12858355
1-(3,4-Dihydro-2H-pyran-6-yl)-3-methyl-2-methylidenebutan-1-one
CID 71377803
1-(3,4-Dihydro-2H-pyran-6-yl)-2-methylidenebutan-1-one
CID 71377804
(5E)-2-ethoxy-4-ethyl-5-ethylidenecyclopent-2-en-1-one
CID 134933023
2-(Cyclopropanecarbonyl)pyran-4-one
CID 138976199
(E)-1-(4-ethyl-2,3,4,5-tetrahydrooxepin-7-yl)but-2-en-1-one
CID 11480990
4,5-Diethoxy-2-methylcyclopent-4-ene-1,3-dione
CID 15208662
3-Ethoxy-5-prop-2-enylcyclopent-2-en-1-one
CID 12195101

Frequently Asked Questions

What is the IUPAC name of (5S)-2-ethoxy-5-methylcyclopent-2-en-1-one?
The IUPAC name of (5S)-2-ethoxy-5-methylcyclopent-2-en-1-one (CID 40526964) is (5S)-2-ethoxy-5-methylcyclopent-2-en-1-one.
What is the SMILES notation for (5S)-2-ethoxy-5-methylcyclopent-2-en-1-one?
The canonical SMILES for (5S)-2-ethoxy-5-methylcyclopent-2-en-1-one is CCOC1=CC[C@H](C)C1=O.
What is the InChIKey of (5S)-2-ethoxy-5-methylcyclopent-2-en-1-one?
The InChIKey is HOUZPOFRUOBMJM-LURJTMIESA-N. The full InChI is InChI=1S/C8H12O2/c1-3-10-7-5-4-6(2)8(7)9/h5-6H,3-4H2,1-2H3/t6-/m0/s1.
What are the key properties of (5S)-2-ethoxy-5-methylcyclopent-2-en-1-one?
(5S)-2-ethoxy-5-methylcyclopent-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-ethoxy-5-methylcyclopent-2-en-1-one is sourced from PubChem (CID 40526964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).