3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one

C11H16O2 — CID 101049557

IUPAC3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one
SMILESC/C=C/[C@@H](C)OC1=C(C)CCC1=O
InChIInChI=1S/C11H16O2/c1-4-5-9(3)13-11-8(2)6-7-10(11)12/h4-5,9H,6-7H2,1-3H3/b5-4+/t9-/m1/s1
InChIKeyHPBSSJKXMHNSOF-XNPJLODASA-N
MW180.25 g/mol
LogP2.60
Rot. Bonds3

About 3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one

3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one (PubChem CID 101049557) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one
PubChem CID101049557
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one
SMILESC/C=C/[C@@H](C)OC1=C(C)CCC1=O
InChIInChI=1S/C11H16O2/c1-4-5-9(3)13-11-8(2)6-7-10(11)12/h4-5,9H,6-7H2,1-3H3/b5-4+/t9-/m1/s1
InChIKeyHPBSSJKXMHNSOF-XNPJLODASA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.60
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

1-(5-Ethenyl-2-methyl-4,5-dihydrofuran-3-yl)ethan-1-one
CID 12579774
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
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-(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-(cyclopenten-1-yl)ethoxy]cyclohex-2-en-1-one
CID 134840234
methyl 2-[(Z)-but-2-enoxy]cyclopentene-1-carboxylate
CID 134859064
2-[(1R)-1-(cyclohexen-1-yl)ethoxy]cyclohex-2-en-1-one
CID 134859070
methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate
CID 134859087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one?
The IUPAC name of 3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one (CID 101049557) is 3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one.
What is the SMILES notation for 3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one?
The canonical SMILES for 3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one is C/C=C/[C@@H](C)OC1=C(C)CCC1=O.
What is the InChIKey of 3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one?
The InChIKey is HPBSSJKXMHNSOF-XNPJLODASA-N. The full InChI is InChI=1S/C11H16O2/c1-4-5-9(3)13-11-8(2)6-7-10(11)12/h4-5,9H,6-7H2,1-3H3/b5-4+/t9-/m1/s1.
What are the key properties of 3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one?
3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(E,2R)-pent-3-en-2-yl]oxycyclopent-2-en-1-one is sourced from PubChem (CID 101049557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).