(4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one

C9H14O3 — CID 56978385

IUPAC(4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one
SMILESCOC(C)(C)O[C@H]1C=CC(=O)C1
InChIInChI=1S/C9H14O3/c1-9(2,11-3)12-8-5-4-7(10)6-8/h4-5,8H,6H2,1-3H3/t8-/m0/s1
InChIKeyJXCRTGWFYWPHHG-QMMMGPOBSA-N
MW170.21 g/mol
LogP1.28
Rot. Bonds3

About (4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one

(4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one (PubChem CID 56978385) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one
PubChem CID56978385
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one
SMILESCOC(C)(C)O[C@H]1C=CC(=O)C1
InChIInChI=1S/C9H14O3/c1-9(2,11-3)12-8-5-4-7(10)6-8/h4-5,8H,6H2,1-3H3/t8-/m0/s1
InChIKeyJXCRTGWFYWPHHG-QMMMGPOBSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3aR,6aR)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta(d)(1,3)dioxol-4-one
CID 10997245
2-Cyclopenten-1-one, 4-methoxy-
CID 543069
(3aS,6aS)-3a,6a-dihydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-one
CID 10154155
4-Oxocyclopent-2-en-1-yl acetate
CID 343117
(4R)-4-(Acetyloxy)-2-cyclopenten-1-one
CID 9877391
mollisolactone A
CID 54421891
8,8-Dimethyl-6,10-dioxaspiro[4.5]dec-3-en-2-one
CID 14778541
1,4-Dioxaspiro[4.4]non-8-en-7-one
CID 11480486
(4R)-4-[(Oxan-2-yl)oxy]cyclopent-2-en-1-one
CID 12838011
2,2-dimethyl-3aH-cyclopenta[d][1,3]dioxol-4(6aH)-one
CID 13700992
(6E)-5-ethoxyocta-1,6-dien-3-one
CID 11008318
(4R)-4-[(2-methylpropan-2-yl)oxy]cyclopent-2-en-1-one
CID 11804980

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one (CID 56978385) is (4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one is COC(C)(C)O[C@H]1C=CC(=O)C1.
What is the InChIKey of (4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one?
The InChIKey is JXCRTGWFYWPHHG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14O3/c1-9(2,11-3)12-8-5-4-7(10)6-8/h4-5,8H,6H2,1-3H3/t8-/m0/s1.
What are the key properties of (4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one?
(4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one has a molecular weight of 170.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methoxypropan-2-yloxy)cyclopent-2-en-1-one is sourced from PubChem (CID 56978385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).