(Z,7R)-7-(oxan-2-yloxy)tridec-5-enal

C18H32O3 — CID 102385009

IUPAC(Z,7R)-7-(oxan-2-yloxy)tridec-5-enal
SMILESCCCCCC[C@H](/C=C\CCCC=O)OC1CCCCO1
InChIInChI=1S/C18H32O3/c1-2-3-4-7-12-17(13-8-5-6-10-15-19)21-18-14-9-11-16-20-18/h8,13,15,17-18H,2-7,9-12,14,16H2,1H3/b13-8-/t17-,18?/m1/s1
InChIKeySJHDZYVFBKYNJW-QATBIQIKSA-N
MW296.45 g/mol
LogP4.79
Rot. Bonds12

About (Z,7R)-7-(oxan-2-yloxy)tridec-5-enal

(Z,7R)-7-(oxan-2-yloxy)tridec-5-enal (PubChem CID 102385009) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is (Z,7R)-7-(oxan-2-yloxy)tridec-5-enal.

Molecular Properties

Compound Name(Z,7R)-7-(oxan-2-yloxy)tridec-5-enal
PubChem CID102385009
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name(Z,7R)-7-(oxan-2-yloxy)tridec-5-enal
SMILESCCCCCC[C@H](/C=C\CCCC=O)OC1CCCCO1
InChIInChI=1S/C18H32O3/c1-2-3-4-7-12-17(13-8-5-6-10-15-19)21-18-14-9-11-16-20-18/h8,13,15,17-18H,2-7,9-12,14,16H2,1H3/b13-8-/t17-,18?/m1/s1
InChIKeySJHDZYVFBKYNJW-QATBIQIKSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z,7R)-7-(oxan-2-yloxy)tridec-5-enal 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 (Z,7R)-7-(oxan-2-yloxy)tridec-5-enal?
The IUPAC name of (Z,7R)-7-(oxan-2-yloxy)tridec-5-enal (CID 102385009) is (Z,7R)-7-(oxan-2-yloxy)tridec-5-enal.
What is the SMILES notation for (Z,7R)-7-(oxan-2-yloxy)tridec-5-enal?
The canonical SMILES for (Z,7R)-7-(oxan-2-yloxy)tridec-5-enal is CCCCCC[C@H](/C=C\CCCC=O)OC1CCCCO1.
What is the InChIKey of (Z,7R)-7-(oxan-2-yloxy)tridec-5-enal?
The InChIKey is SJHDZYVFBKYNJW-QATBIQIKSA-N. The full InChI is InChI=1S/C18H32O3/c1-2-3-4-7-12-17(13-8-5-6-10-15-19)21-18-14-9-11-16-20-18/h8,13,15,17-18H,2-7,9-12,14,16H2,1H3/b13-8-/t17-,18?/m1/s1.
What are the key properties of (Z,7R)-7-(oxan-2-yloxy)tridec-5-enal?
(Z,7R)-7-(oxan-2-yloxy)tridec-5-enal has a molecular weight of 296.45 g/mol, XLogP of 4.79, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7R)-7-(oxan-2-yloxy)tridec-5-enal is sourced from PubChem (CID 102385009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).