12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol

C24H46O3 — CID 173344652

IUPAC12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol
SMILESOCCCCCCCCCCC=COC=CCCCCCCCCCCO
InChIInChI=1S/C24H46O3/c25-21-17-13-9-5-1-3-7-11-15-19-23-27-24-20-16-12-8-4-2-6-10-14-18-22-26/h19-20,23-26H,1-18,21-22H2
InChIKeyHPRRTNZUYKOWJO-UHFFFAOYSA-N
MW382.63 g/mol
LogP7.04
Rot. Bonds22

About 12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol

12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol (PubChem CID 173344652) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is 12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol.

Molecular Properties

Compound Name12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol
PubChem CID173344652
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol
SMILESOCCCCCCCCCCC=COC=CCCCCCCCCCCO
InChIInChI=1S/C24H46O3/c25-21-17-13-9-5-1-3-7-11-15-19-23-27-24-20-16-12-8-4-2-6-10-14-18-22-26/h19-20,23-26H,1-18,21-22H2
InChIKeyHPRRTNZUYKOWJO-UHFFFAOYSA-N
XLogP7.04
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 12-(12-hydroxydodec-1-enoxy)dodec-11-en-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

Related Compounds

7-(7-hydroxyhept-1-enoxy)hept-6-en-1-ol
CID 57238469
7-methoxyhept-6-en-1-ol
CID 85279707
hexadec-8-ene-1,16-diol
CID 54395986
(7Z,11Z)-octadeca-7,11-diene-1,18-diol
CID 171904791
(E)-hexadec-1-ene-1,16-diol
CID 57427575
heptadec-1-ene-1,17-diol
CID 142730253
1-triacont-1-enoxytriacont-1-ene
CID 173373575
CID 19982704
CID 19982704
1-hexadec-1-enoxyhexadec-1-ene
CID 57140599
sodium;(E)-hept-1-ene-1,7-diol;hydride
CID 174548415
6-fluoro-1-(6-fluorohex-1-enoxy)hex-1-ene
CID 91221242
(Z)-10-aminodec-5-en-1-ol
CID 10910016

Frequently Asked Questions

What is the IUPAC name of 12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol?
The IUPAC name of 12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol (CID 173344652) is 12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol.
What is the SMILES notation for 12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol?
The canonical SMILES for 12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol is OCCCCCCCCCCC=COC=CCCCCCCCCCCO.
What is the InChIKey of 12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol?
The InChIKey is HPRRTNZUYKOWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O3/c25-21-17-13-9-5-1-3-7-11-15-19-23-27-24-20-16-12-8-4-2-6-10-14-18-22-26/h19-20,23-26H,1-18,21-22H2.
What are the key properties of 12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol?
12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol has a molecular weight of 382.63 g/mol, XLogP of 7.04, 22 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(12-hydroxydodec-1-enoxy)dodec-11-en-1-ol is sourced from PubChem (CID 173344652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).