methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate

C19H30O4 — CID 162848581

IUPACmethyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate
SMILESCC/C=C\C[C@]1(O)C(=O)CC=C1CCCCCCCC(=O)OC
InChIInChI=1S/C19H30O4/c1-3-4-10-15-19(22)16(13-14-17(19)20)11-8-6-5-7-9-12-18(21)23-2/h4,10,13,22H,3,5-9,11-12,14-15H2,1-2H3/b10-4-/t19-/m1/s1
InChIKeyXLLPFFSFQQPASS-KZIVNFMESA-N
MW322.45 g/mol
LogP3.88
Rot. Bonds11

About methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate

methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate (PubChem CID 162848581) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate.

Molecular Properties

Compound Namemethyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate
PubChem CID162848581
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Namemethyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate
SMILESCC/C=C\C[C@]1(O)C(=O)CC=C1CCCCCCCC(=O)OC
InChIInChI=1S/C19H30O4/c1-3-4-10-15-19(22)16(13-14-17(19)20)11-8-6-5-7-9-12-18(21)23-2/h4,10,13,22H,3,5-9,11-12,14-15H2,1-2H3/b10-4-/t19-/m1/s1
InChIKeyXLLPFFSFQQPASS-KZIVNFMESA-N
XLogP3.88
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate with MolForge

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Related Compounds

methyl 7-[(3R,4R)-4-[(E,3R)-3-hydroxy-3-methyloct-1-enyl]-2-oxooxolan-3-yl]heptanoate
CID 90673602
methyl 7-[(3R,4R)-4-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]-2-oxooxolan-3-yl]heptanoate
CID 90673603
prostaglandin C1(1-)
CID 45266617
methyl 8-[(1S,5R)-1-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopent-2-en-1-yl]octanoate
CID 162940748
methyl 8-[(1S,5E)-1-hydroxy-4-oxo-5-[(Z)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoate
CID 163005404
methyl 8-[(1R,5E)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoate
CID 163005405
methyl 8-[(1S,5Z)-1-hydroxy-4-oxo-5-[(E)-pent-2-enylidene]cyclopent-2-en-1-yl]octanoate
CID 163005406
methyl (1R,4S)-1-hydroxy-4-[(2S)-6-methyl-4-oxoheptan-2-yl]cyclohex-2-ene-1-carboxylate
CID 163038099
(+)-euroticin I
CID 170990415
(-)-euroticin I
CID 170990416
Methyl 12-acetylricinoleate
CID 88408070
2-Cyclopentene-1-acetic acid, 1-hydroxy-2-pentyl-, methyl ester
CID 6452505

Frequently Asked Questions

What is the IUPAC name of methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate?
The IUPAC name of methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate (CID 162848581) is methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate.
What is the SMILES notation for methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate?
The canonical SMILES for methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate is CC/C=C\C[C@]1(O)C(=O)CC=C1CCCCCCCC(=O)OC.
What is the InChIKey of methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate?
The InChIKey is XLLPFFSFQQPASS-KZIVNFMESA-N. The full InChI is InChI=1S/C19H30O4/c1-3-4-10-15-19(22)16(13-14-17(19)20)11-8-6-5-7-9-12-18(21)23-2/h4,10,13,22H,3,5-9,11-12,14-15H2,1-2H3/b10-4-/t19-/m1/s1.
What are the key properties of methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate?
methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate has a molecular weight of 322.45 g/mol, XLogP of 3.88, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(5R)-5-hydroxy-4-oxo-5-[(Z)-pent-2-enyl]cyclopenten-1-yl]octanoate is sourced from PubChem (CID 162848581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).