methyl (E,7S)-7-methoxytetradec-4-enoate

C16H30O3 — CID 58437049

IUPACmethyl (E,7S)-7-methoxytetradec-4-enoate
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)OC)OC
InChIInChI=1S/C16H30O3/c1-4-5-6-7-9-12-15(18-2)13-10-8-11-14-16(17)19-3/h8,10,15H,4-7,9,11-14H2,1-3H3/b10-8+/t15-/m0/s1
InChIKeyKIQZCMAGKZPXBF-HQPKTYMTSA-N
MW270.41 g/mol
LogP4.26
Rot. Bonds12

About methyl (E,7S)-7-methoxytetradec-4-enoate

methyl (E,7S)-7-methoxytetradec-4-enoate (PubChem CID 58437049) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is methyl (E,7S)-7-methoxytetradec-4-enoate.

Molecular Properties

Compound Namemethyl (E,7S)-7-methoxytetradec-4-enoate
PubChem CID58437049
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Namemethyl (E,7S)-7-methoxytetradec-4-enoate
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)OC)OC
InChIInChI=1S/C16H30O3/c1-4-5-6-7-9-12-15(18-2)13-10-8-11-14-16(17)19-3/h8,10,15H,4-7,9,11-14H2,1-3H3/b10-8+/t15-/m0/s1
InChIKeyKIQZCMAGKZPXBF-HQPKTYMTSA-N
XLogP4.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
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 (E,7S)-7-methoxytetradec-4-enoate 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 methyl (E,7S)-7-methoxytetradec-4-enoate?
The IUPAC name of methyl (E,7S)-7-methoxytetradec-4-enoate (CID 58437049) is methyl (E,7S)-7-methoxytetradec-4-enoate.
What is the SMILES notation for methyl (E,7S)-7-methoxytetradec-4-enoate?
The canonical SMILES for methyl (E,7S)-7-methoxytetradec-4-enoate is CCCCCCC[C@@H](C/C=C/CCC(=O)OC)OC.
What is the InChIKey of methyl (E,7S)-7-methoxytetradec-4-enoate?
The InChIKey is KIQZCMAGKZPXBF-HQPKTYMTSA-N. The full InChI is InChI=1S/C16H30O3/c1-4-5-6-7-9-12-15(18-2)13-10-8-11-14-16(17)19-3/h8,10,15H,4-7,9,11-14H2,1-3H3/b10-8+/t15-/m0/s1.
What are the key properties of methyl (E,7S)-7-methoxytetradec-4-enoate?
methyl (E,7S)-7-methoxytetradec-4-enoate has a molecular weight of 270.41 g/mol, XLogP of 4.26, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E,7S)-7-methoxytetradec-4-enoate is sourced from PubChem (CID 58437049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).