(Z)-dodec-6-ene-1,3-diol

C12H24O2 — CID 10488272

IUPAC(Z)-dodec-6-ene-1,3-diol
SMILESCCCCC/C=C\CCC(O)CCO
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h6-7,12-14H,2-5,8-11H2,1H3/b7-6-
InChIKeyWRCUIQLZWXFKKQ-SREVYHEPSA-N
MW200.32 g/mol
LogP2.65
Rot. Bonds9

About (Z)-dodec-6-ene-1,3-diol

(Z)-dodec-6-ene-1,3-diol (PubChem CID 10488272) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is (Z)-dodec-6-ene-1,3-diol.

Molecular Properties

Compound Name(Z)-dodec-6-ene-1,3-diol
PubChem CID10488272
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name(Z)-dodec-6-ene-1,3-diol
SMILESCCCCC/C=C\CCC(O)CCO
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h6-7,12-14H,2-5,8-11H2,1H3/b7-6-
InChIKeyWRCUIQLZWXFKKQ-SREVYHEPSA-N
XLogP2.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-dodec-6-ene-1,3-diol 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

(E)-hexadec-7-ene-1,3-diol
CID 134326669
henicosa-6,15-dien-10-ol
CID 141379717
(Z)-tetracos-6-en-10-ol
CID 168947717
octadec-4-ene-1,8-diol
CID 123554473
(E)-nonadec-5-ene-1,2-diol
CID 142781627
octacos-21-en-10-ol
CID 163011476
(Z)-4-hydroxyoctadec-7-enoic acid
CID 139805456
3-octadec-9-enylpentane-1,5-diol
CID 91381537
octadec-9-ene-1,2-diol
CID 139720566
hexadecane-1,2-diol;(Z)-octadec-9-en-1-ol
CID 86739633
(Z)-4-hydroxyoctadec-9-enal
CID 173341795
dodec-5-ene-1,3-diol;trimethyl(trimethylsilyloxy)silane
CID 175268067

Frequently Asked Questions

What is the IUPAC name of (Z)-dodec-6-ene-1,3-diol?
The IUPAC name of (Z)-dodec-6-ene-1,3-diol (CID 10488272) is (Z)-dodec-6-ene-1,3-diol.
What is the SMILES notation for (Z)-dodec-6-ene-1,3-diol?
The canonical SMILES for (Z)-dodec-6-ene-1,3-diol is CCCCC/C=C\CCC(O)CCO.
What is the InChIKey of (Z)-dodec-6-ene-1,3-diol?
The InChIKey is WRCUIQLZWXFKKQ-SREVYHEPSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-12(14)10-11-13/h6-7,12-14H,2-5,8-11H2,1H3/b7-6-.
What are the key properties of (Z)-dodec-6-ene-1,3-diol?
(Z)-dodec-6-ene-1,3-diol has a molecular weight of 200.32 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dodec-6-ene-1,3-diol is sourced from PubChem (CID 10488272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).