(1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol

C16H29NO3 — CID 142089766

IUPAC(1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol
SMILESCCCCCC(O)/C=C/[C@H]1/C(=N\O)C[C@H](O)[C@@H]1CCC
InChIInChI=1S/C16H29NO3/c1-3-5-6-8-12(18)9-10-13-14(7-4-2)16(19)11-15(13)17-20/h9-10,12-14,16,18-20H,3-8,11H2,1-2H3/b10-9+,17-15-/t12?,13-,14-,16+/m1/s1
InChIKeyGLRSUFCACXJVLK-XVCBZJDOSA-N
MW283.41 g/mol
LogP3.11
Rot. Bonds8

About (1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol

(1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol (PubChem CID 142089766) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is (1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol
PubChem CID142089766
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Name(1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol
SMILESCCCCCC(O)/C=C/[C@H]1/C(=N\O)C[C@H](O)[C@@H]1CCC
InChIInChI=1S/C16H29NO3/c1-3-5-6-8-12(18)9-10-13-14(7-4-2)16(19)11-15(13)17-20/h9-10,12-14,16,18-20H,3-8,11H2,1-2H3/b10-9+,17-15-/t12?,13-,14-,16+/m1/s1
InChIKeyGLRSUFCACXJVLK-XVCBZJDOSA-N
XLogP3.11
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol?
The IUPAC name of (1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol (CID 142089766) is (1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol.
What is the SMILES notation for (1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol?
The canonical SMILES for (1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol is CCCCCC(O)/C=C/[C@H]1/C(=N\O)C[C@H](O)[C@@H]1CCC.
What is the InChIKey of (1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol?
The InChIKey is GLRSUFCACXJVLK-XVCBZJDOSA-N. The full InChI is InChI=1S/C16H29NO3/c1-3-5-6-8-12(18)9-10-13-14(7-4-2)16(19)11-15(13)17-20/h9-10,12-14,16,18-20H,3-8,11H2,1-2H3/b10-9+,17-15-/t12?,13-,14-,16+/m1/s1.
What are the key properties of (1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol?
(1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol has a molecular weight of 283.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4Z)-4-hydroxyimino-3-[(E)-3-hydroxyoct-1-enyl]-2-propylcyclopentan-1-ol is sourced from PubChem (CID 142089766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).