methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate

C22H36O3 — CID 10043374

IUPACmethyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate
SMILESCCCCC/C=C\CC1CC1=CC[C@H](O)C/C=C\CCCC(=O)OC
InChIInChI=1S/C22H36O3/c1-3-4-5-6-7-10-13-19-18-20(19)16-17-21(23)14-11-8-9-12-15-22(24)25-2/h7-8,10-11,16,19,21,23H,3-6,9,12-15,17-18H2,1-2H3/b10-7-,11-8-,20-16?/t19?,21-/m1/s1
InChIKeyJEONJBPPUDILRP-HFAHMWLTSA-N
MW348.53 g/mol
LogP5.50
Rot. Bonds14

About methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate

methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate (PubChem CID 10043374) has the molecular formula C22H36O3 and a molecular weight of 348.53 g/mol. Its IUPAC name is methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate.

Molecular Properties

Compound Namemethyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate
PubChem CID10043374
Molecular FormulaC22H36O3
Molecular Weight348.53 g/mol
Exact Mass348.27
IUPAC Namemethyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate
SMILESCCCCC/C=C\CC1CC1=CC[C@H](O)C/C=C\CCCC(=O)OC
InChIInChI=1S/C22H36O3/c1-3-4-5-6-7-10-13-19-18-20(19)16-17-21(23)14-11-8-9-12-15-22(24)25-2/h7-8,10-11,16,19,21,23H,3-6,9,12-15,17-18H2,1-2H3/b10-7-,11-8-,20-16?/t19?,21-/m1/s1
InChIKeyJEONJBPPUDILRP-HFAHMWLTSA-N
XLogP5.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate with MolForge

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

Launch Full Analysis

Related Compounds

methyl (Z)-9-[(2R)-2-[(Z)-hexadec-7-enyl]cyclopropylidene]non-5-enoate
CID 163001014
methyl (E)-9-hydroxytetradec-6-enoate
CID 156581365
methyl (Z)-undec-5-enoate
CID 11469683
methyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 5354133
CID 175883907
CID 175883907
methyl dodec-5-enoate
CID 86010951
methyl (E)-3-hydroxydodec-5-enoate
CID 15089809
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
methyl (E)-octadec-7-enoate
CID 5364440
methyl (Z)-octadec-9-enoate
CID 5364509
methyl (Z)-dotriacont-15-enoate
CID 100966062
methyl octadec-7-enoate
CID 543314

Frequently Asked Questions

What is the IUPAC name of methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate?
The IUPAC name of methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate (CID 10043374) is methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate.
What is the SMILES notation for methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate?
The canonical SMILES for methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate is CCCCC/C=C\CC1CC1=CC[C@H](O)C/C=C\CCCC(=O)OC.
What is the InChIKey of methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate?
The InChIKey is JEONJBPPUDILRP-HFAHMWLTSA-N. The full InChI is InChI=1S/C22H36O3/c1-3-4-5-6-7-10-13-19-18-20(19)16-17-21(23)14-11-8-9-12-15-22(24)25-2/h7-8,10-11,16,19,21,23H,3-6,9,12-15,17-18H2,1-2H3/b10-7-,11-8-,20-16?/t19?,21-/m1/s1.
What are the key properties of methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate?
methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate has a molecular weight of 348.53 g/mol, XLogP of 5.50, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,8R)-8-hydroxy-10-[2-[(Z)-oct-2-enyl]cyclopropylidene]dec-5-enoate is sourced from PubChem (CID 10043374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).