(1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol

C19H31NO3 — CID 142089775

IUPAC(1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol
SMILESCC/C=C/CC(O)/C=C/[C@H]1/C(=N\O)C[C@H](O)[C@@H]1C/C=C\CCC
InChIInChI=1S/C19H31NO3/c1-3-5-7-9-11-17-16(18(20-23)14-19(17)22)13-12-15(21)10-8-6-4-2/h6-9,12-13,15-17,19,21-23H,3-5,10-11,14H2,1-2H3/b8-6+,9-7-,13-12+,20-18-/t15?,16-,17-,19+/m1/s1
InChIKeyAJDPKUXNHPFNFQ-JSULVZTHSA-N
MW321.46 g/mol
LogP3.83
Rot. Bonds9

About (1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol

(1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol (PubChem CID 142089775) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is (1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol
PubChem CID142089775
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name(1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol
SMILESCC/C=C/CC(O)/C=C/[C@H]1/C(=N\O)C[C@H](O)[C@@H]1C/C=C\CCC
InChIInChI=1S/C19H31NO3/c1-3-5-7-9-11-17-16(18(20-23)14-19(17)22)13-12-15(21)10-8-6-4-2/h6-9,12-13,15-17,19,21-23H,3-5,10-11,14H2,1-2H3/b8-6+,9-7-,13-12+,20-18-/t15?,16-,17-,19+/m1/s1
InChIKeyAJDPKUXNHPFNFQ-JSULVZTHSA-N
XLogP3.83
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4Z,7Z)-9-[(1S,2R,5S)-5-hydroxy-2-[(1E,3R,5Z)-3-hydroxyocta-1,5-dienyl]-3-oxocyclopentyl]nona-4,7-dienoic acid
CID 131840566
(4Z,7Z)-9-[(1S,2S,5R)-5-hydroxy-2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-3-oxocyclopentyl]nona-4,7-dienoic acid
CID 131840561
(Z)-6-[(1R,2S,5S)-5-hydroxy-2-[(1E,3R,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-3-oxocyclopentyl]hex-4-enoic acid
CID 131840547
(Z)-6-[(1S,2R,5S)-5-hydroxy-2-[(1E,3S,5Z,8Z)-3-hydroxyundeca-1,5,8-trienyl]-3-oxocyclopentyl]hex-4-enoic acid
CID 131840554
(1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol
CID 142089766
(Z)-7-[(1R,2R,3Z,5S)-5-hydroxy-3-hydroxyimino-2-[(E)-3-hydroxy-5-phenylpent-1-enyl]cyclopentyl]-N-methylsulfonylhept-5-enamide
CID 58654679
(4Z,7Z,10Z,13R,14E)-15-[(1S,2R,3S)-2-ethyl-3-hydroxy-5-oxocyclopentyl]-13-hydroxypentadeca-4,7,10,14-tetraenoic acid
CID 131840654
(E,4R)-4-hydroxy-6-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]cyclopentyl]hex-5-enoic acid
CID 131840592
3-[(1R,2R,5R)-5-hydroxy-2-[(1E,3R,5Z,8E,11Z)-3-hydroxytetradeca-1,5,8,11-tetraenyl]-3-oxocyclopentyl]propanoic acid
CID 131840508
(E,4S)-4-hydroxy-6-[(1R,2R,3R)-3-hydroxy-5-oxo-2-[(2Z,5Z,8Z)-undeca-2,5,8-trienyl]cyclopentyl]hex-5-enoic acid
CID 131840600
3-[(1R,2S,5S)-5-hydroxy-2-[(1E,3S,5Z,8E,11Z)-3-hydroxytetradeca-1,5,8,11-tetraenyl]-3-oxocyclopentyl]propanoic acid
CID 131840519
3-[(1S,2R,5S)-5-hydroxy-2-[(1E,3R,5Z,8E,11Z)-3-hydroxytetradeca-1,5,8,11-tetraenyl]-3-oxocyclopentyl]propanoic acid
CID 131840518

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol?
The IUPAC name of (1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol (CID 142089775) is (1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol?
The canonical SMILES for (1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol is CC/C=C/CC(O)/C=C/[C@H]1/C(=N\O)C[C@H](O)[C@@H]1C/C=C\CCC.
What is the InChIKey of (1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol?
The InChIKey is AJDPKUXNHPFNFQ-JSULVZTHSA-N. The full InChI is InChI=1S/C19H31NO3/c1-3-5-7-9-11-17-16(18(20-23)14-19(17)22)13-12-15(21)10-8-6-4-2/h6-9,12-13,15-17,19,21-23H,3-5,10-11,14H2,1-2H3/b8-6+,9-7-,13-12+,20-18-/t15?,16-,17-,19+/m1/s1.
What are the key properties of (1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol?
(1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol has a molecular weight of 321.46 g/mol, XLogP of 3.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4Z)-2-[(Z)-hex-2-enyl]-4-hydroxyimino-3-[(1E,5E)-3-hydroxyocta-1,5-dienyl]cyclopentan-1-ol is sourced from PubChem (CID 142089775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).