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

C12H24O3 — CID 139766623

IUPACdodec-1-ene-1,1,2-triol
SMILESCCCCCCCCCCC(O)=C(O)O
InChIInChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h13-15H,2-10H2,1H3
InChIKeyNSMAEIYOUNAPCQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.36
Rot. Bonds9

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

dodec-1-ene-1,1,2-triol (PubChem CID 139766623) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is dodec-1-ene-1,1,2-triol.

Molecular Properties

Compound Namedodec-1-ene-1,1,2-triol
PubChem CID139766623
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namedodec-1-ene-1,1,2-triol
SMILESCCCCCCCCCCC(O)=C(O)O
InChIInChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h13-15H,2-10H2,1H3
InChIKeyNSMAEIYOUNAPCQ-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 53
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'}

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Related Compounds

9,10-dihydroxyhexadec-9-enoic acid
CID 173275497
henicos-1-en-2-ol
CID 90735098
2-bromooct-1-ene-1,1-diol
CID 118275570
9,10-dioctyloctadec-9-ene
CID 10814462
octadecanoic acid
CID 157075632
decanoic acid;heptanoic acid;nonanoic acid;octanoic acid
CID 163854999
hexadecane;hexadecanedioic acid
CID 159838474
decanoic acid;hexanedioic acid;nonanedioic acid
CID 161134683
bis(hexane);tetradecanoic acid
CID 173301731
pentakis(decanoic acid);tetradecanoic acid
CID 173200297
(1,12-13C2)dodecanoic acid
CID 71308916
henicosane;tricosanoic acid
CID 175935357

Frequently Asked Questions

What is the IUPAC name of dodec-1-ene-1,1,2-triol?
The IUPAC name of dodec-1-ene-1,1,2-triol (CID 139766623) is dodec-1-ene-1,1,2-triol.
What is the SMILES notation for dodec-1-ene-1,1,2-triol?
The canonical SMILES for dodec-1-ene-1,1,2-triol is CCCCCCCCCCC(O)=C(O)O.
What is the InChIKey of dodec-1-ene-1,1,2-triol?
The InChIKey is NSMAEIYOUNAPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h13-15H,2-10H2,1H3.
What are the key properties of dodec-1-ene-1,1,2-triol?
dodec-1-ene-1,1,2-triol has a molecular weight of 216.32 g/mol, XLogP of 4.36, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-1-ene-1,1,2-triol is sourced from PubChem (CID 139766623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).