methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate

C18H26O5 — CID 149434324

IUPACmethyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
SMILESCOC(=O)CCC/C=C\CC1=C(OC2CCCCO2)CCC1=O
InChIInChI=1S/C18H26O5/c1-21-17(20)9-5-3-2-4-8-14-15(19)11-12-16(14)23-18-10-6-7-13-22-18/h2,4,18H,3,5-13H2,1H3/b4-2-
InChIKeySGEBKUHDVKALJJ-RQOWECAXSA-N
MW322.40 g/mol
LogP3.44
Rot. Bonds8

About methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate

methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate (PubChem CID 149434324) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate.

Molecular Properties

Compound Namemethyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
PubChem CID149434324
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Namemethyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
SMILESCOC(=O)CCC/C=C\CC1=C(OC2CCCCO2)CCC1=O
InChIInChI=1S/C18H26O5/c1-21-17(20)9-5-3-2-4-8-14-15(19)11-12-16(14)23-18-10-6-7-13-22-18/h2,4,18H,3,5-13H2,1H3/b4-2-
InChIKeySGEBKUHDVKALJJ-RQOWECAXSA-N
XLogP3.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-6-(oxan-2-yloxy)hex-4-enoate
CID 11310730
methyl 6-(oxan-2-yloxy)hexanoate
CID 10955377
ethyl 7-[3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
CID 54371984
oxan-2-yl (Z)-7-[(3R)-3-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate
CID 70618138
methyl (Z)-7-[(1R,2S,3R)-2-(8-hydroxyoct-1-enyl)-3-(oxan-2-yloxy)-5-oxocyclopentyl]hept-5-enoate
CID 70628190
methyl 7-[(1S,2S,3S,5R)-5-hydroxy-2-morpholin-4-yl-3-(oxan-2-yloxy)cyclopentyl]hept-5-enoate
CID 54200942
methyl (Z)-12-(oxan-2-yloxy)octadec-9-enoate
CID 10992948
methyl 7-[2-(3-hydroxyoct-1-enyl)-5-oxocyclopenten-1-yl]hept-5-enoate
CID 612546
methyl 7-[2-[7-(oxan-2-yloxy)hept-2-enyl]-5-oxocyclopent-3-en-1-ylidene]heptanoate
CID 139625810
methyl (E,7Z)-7-[4-chloro-2-[(Z)-oct-2-enyl]-2-(oxan-2-yloxy)-5-oxocyclopent-3-en-1-ylidene]hept-5-enoate
CID 10600237
methyl (Z)-7-[(1R,2R,5S)-2-(5,5-difluoro-4-oxooctyl)-5-(oxan-2-yloxy)-3-oxocyclopentyl]hept-5-enoate
CID 131718006
CID 6329892
CID 6329892

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate?
The IUPAC name of methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate (CID 149434324) is methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate.
What is the SMILES notation for methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate?
The canonical SMILES for methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate is COC(=O)CCC/C=C\CC1=C(OC2CCCCO2)CCC1=O.
What is the InChIKey of methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate?
The InChIKey is SGEBKUHDVKALJJ-RQOWECAXSA-N. The full InChI is InChI=1S/C18H26O5/c1-21-17(20)9-5-3-2-4-8-14-15(19)11-12-16(14)23-18-10-6-7-13-22-18/h2,4,18H,3,5-13H2,1H3/b4-2-.
What are the key properties of methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate?
methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate has a molecular weight of 322.40 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-7-[2-(oxan-2-yloxy)-5-oxocyclopenten-1-yl]hept-5-enoate is sourced from PubChem (CID 149434324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).