dodec-2-ene-1,1,1-triol

C12H24O3 — CID 139766576

IUPACdodec-2-ene-1,1,1-triol
SMILESCCCCCCCCCC=CC(O)(O)O
InChIInChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11-12(13,14)15/h10-11,13-15H,2-9H2,1H3
InChIKeyUQARMIGIBNUHNE-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.31
Rot. Bonds9

About dodec-2-ene-1,1,1-triol

dodec-2-ene-1,1,1-triol (PubChem CID 139766576) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is dodec-2-ene-1,1,1-triol.

Molecular Properties

Compound Namedodec-2-ene-1,1,1-triol
PubChem CID139766576
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namedodec-2-ene-1,1,1-triol
SMILESCCCCCCCCCC=CC(O)(O)O
InChIInChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11-12(13,14)15/h10-11,13-15H,2-9H2,1H3
InChIKeyUQARMIGIBNUHNE-UHFFFAOYSA-N
XLogP2.31
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tetradec-3-ene-1,2,2-triol
CID 139766469
(9Z)-hexatriaconta-9,19-diene-18,18-diol
CID 173172892
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of dodec-2-ene-1,1,1-triol?
The IUPAC name of dodec-2-ene-1,1,1-triol (CID 139766576) is dodec-2-ene-1,1,1-triol.
What is the SMILES notation for dodec-2-ene-1,1,1-triol?
The canonical SMILES for dodec-2-ene-1,1,1-triol is CCCCCCCCCC=CC(O)(O)O.
What is the InChIKey of dodec-2-ene-1,1,1-triol?
The InChIKey is UQARMIGIBNUHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11-12(13,14)15/h10-11,13-15H,2-9H2,1H3.
What are the key properties of dodec-2-ene-1,1,1-triol?
dodec-2-ene-1,1,1-triol has a molecular weight of 216.32 g/mol, XLogP of 2.31, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-2-ene-1,1,1-triol is sourced from PubChem (CID 139766576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).