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

C11H16O2 — CID 15535735

IUPAC2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one
SMILESC/C=C/[C@@H](C)OC1=CCCCC1=O
InChIInChI=1S/C11H16O2/c1-3-6-9(2)13-11-8-5-4-7-10(11)12/h3,6,8-9H,4-5,7H2,1-2H3/b6-3+/t9-/m1/s1
InChIKeyQGFXOGPVCJPSPC-BSPAPZMXSA-N
MW180.25 g/mol
LogP2.60
Rot. Bonds3

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

2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one (PubChem CID 15535735) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one.

Molecular Properties

Compound Name2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one
PubChem CID15535735
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one
SMILESC/C=C/[C@@H](C)OC1=CCCCC1=O
InChIInChI=1S/C11H16O2/c1-3-6-9(2)13-11-8-5-4-7-10(11)12/h3,6,8-9H,4-5,7H2,1-2H3/b6-3+/t9-/m1/s1
InChIKeyQGFXOGPVCJPSPC-BSPAPZMXSA-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'}

Analyze 2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one with MolForge

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Launch Full Analysis

Related Compounds

2-Ethoxycyclohex-2-en-1-one
CID 121598
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
1-O-ethyl 8-O-methyl (E)-7-oxooct-2-enedioate
CID 11995612
2-Propoxycyclohex-2-en-1-one
CID 13678104
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
(4S)-4-[(E)-but-2-enoxy]cyclohex-2-en-1-one
CID 71578466
1-(3,4-dihydro-2H-pyran-6-yl)-2-methylidenepentan-1-one
CID 85991138
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

Frequently Asked Questions

What is the IUPAC name of 2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one?
The IUPAC name of 2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one (CID 15535735) is 2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one.
What is the SMILES notation for 2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one?
The canonical SMILES for 2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one is C/C=C/[C@@H](C)OC1=CCCCC1=O.
What is the InChIKey of 2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one?
The InChIKey is QGFXOGPVCJPSPC-BSPAPZMXSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-6-9(2)13-11-8-5-4-7-10(11)12/h3,6,8-9H,4-5,7H2,1-2H3/b6-3+/t9-/m1/s1.
What are the key properties of 2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one?
2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-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 2-[(E,2R)-pent-3-en-2-yl]oxycyclohex-2-en-1-one is sourced from PubChem (CID 15535735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).