methyl 6-hydroxytetradec-2-en-4-ynoate

C15H24O3 — CID 23267308

IUPACmethyl 6-hydroxytetradec-2-en-4-ynoate
SMILESCCCCCCCCC(O)C#CC=CC(=O)OC
InChIInChI=1S/C15H24O3/c1-3-4-5-6-7-8-11-14(16)12-9-10-13-15(17)18-2/h10,13-14,16H,3-8,11H2,1-2H3
InChIKeyFMBRTBKXTUCAFC-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.83
Rot. Bonds8

About methyl 6-hydroxytetradec-2-en-4-ynoate

methyl 6-hydroxytetradec-2-en-4-ynoate (PubChem CID 23267308) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is methyl 6-hydroxytetradec-2-en-4-ynoate.

Molecular Properties

Compound Namemethyl 6-hydroxytetradec-2-en-4-ynoate
PubChem CID23267308
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Namemethyl 6-hydroxytetradec-2-en-4-ynoate
SMILESCCCCCCCCC(O)C#CC=CC(=O)OC
InChIInChI=1S/C15H24O3/c1-3-4-5-6-7-8-11-14(16)12-9-10-13-15(17)18-2/h10,13-14,16H,3-8,11H2,1-2H3
InChIKeyFMBRTBKXTUCAFC-UHFFFAOYSA-N
XLogP2.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze methyl 6-hydroxytetradec-2-en-4-ynoate 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

(Z)-hexadec-9-en-7-yn-6-ol
CID 59125733
methyl (E)-4-hexyldec-2-enoate
CID 129015528
methyl (E,4S)-4-hydroxynon-2-enoate
CID 169408597
methyl (E,4R)-4-methyldec-2-enoate
CID 24746221
methyl (E)-5-hydroxydec-2-enoate
CID 134979817
(E,12R)-12-hydroxyheptadec-8-en-10-ynoic acid
CID 125496148
methyl 14,15-dihydroxyicosa-2,4,6-trienoate
CID 54363707
(9E,15E)-icosa-9,15-dien-7-yn-6-ol
CID 23523148
methyl (Z)-5-tributylstannylpent-2-en-4-ynoate
CID 177462533
methyl (12S)-12-hydroxyheptadec-13-ynoate
CID 10424672
methyl (E)-2-hydroxyoctadec-10-en-8,12-diynoate
CID 87615044
methyl 8-hydroxyoctadeca-2,4-dienoate
CID 90770344

Frequently Asked Questions

What is the IUPAC name of methyl 6-hydroxytetradec-2-en-4-ynoate?
The IUPAC name of methyl 6-hydroxytetradec-2-en-4-ynoate (CID 23267308) is methyl 6-hydroxytetradec-2-en-4-ynoate.
What is the SMILES notation for methyl 6-hydroxytetradec-2-en-4-ynoate?
The canonical SMILES for methyl 6-hydroxytetradec-2-en-4-ynoate is CCCCCCCCC(O)C#CC=CC(=O)OC.
What is the InChIKey of methyl 6-hydroxytetradec-2-en-4-ynoate?
The InChIKey is FMBRTBKXTUCAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-4-5-6-7-8-11-14(16)12-9-10-13-15(17)18-2/h10,13-14,16H,3-8,11H2,1-2H3.
What are the key properties of methyl 6-hydroxytetradec-2-en-4-ynoate?
methyl 6-hydroxytetradec-2-en-4-ynoate has a molecular weight of 252.35 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-hydroxytetradec-2-en-4-ynoate is sourced from PubChem (CID 23267308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).