dodec-8-ene-1,1-diol

C12H24O2 — CID 90860381

IUPACdodec-8-ene-1,1-diol
SMILESCCCC=CCCCCCCC(O)O
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyJGDOTUMEMIGOBP-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.99
Rot. Bonds9

About dodec-8-ene-1,1-diol

dodec-8-ene-1,1-diol (PubChem CID 90860381) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is dodec-8-ene-1,1-diol.

Molecular Properties

Compound Namedodec-8-ene-1,1-diol
PubChem CID90860381
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Namedodec-8-ene-1,1-diol
SMILESCCCC=CCCCCCCC(O)O
InChIInChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-5,12-14H,2-3,6-11H2,1H3
InChIKeyJGDOTUMEMIGOBP-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

(Z)-non-6-ene-1,1-diol
CID 170555028
tricosa-4,19-diene
CID 142680711
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(2S,3R)-2-aminooctadec-14-en-3-ol
CID 171149144
(Z)-octacos-19-ene-10,11-diol
CID 87651448
octacos-21-en-10-ol
CID 163011476
icos-9-en-2-ol
CID 91416664
(E)-tridec-8-en-2-ol
CID 173250287
(E)-hentetracont-36-en-5-ol
CID 87492179
(Z)-henicos-12-en-2-ol
CID 141141779
(E)-20-methyloctacos-4-ene
CID 173194294
heptadec-9-en-2-ol
CID 54154410

Frequently Asked Questions

What is the IUPAC name of dodec-8-ene-1,1-diol?
The IUPAC name of dodec-8-ene-1,1-diol (CID 90860381) is dodec-8-ene-1,1-diol.
What is the SMILES notation for dodec-8-ene-1,1-diol?
The canonical SMILES for dodec-8-ene-1,1-diol is CCCC=CCCCCCCC(O)O.
What is the InChIKey of dodec-8-ene-1,1-diol?
The InChIKey is JGDOTUMEMIGOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h4-5,12-14H,2-3,6-11H2,1H3.
What are the key properties of dodec-8-ene-1,1-diol?
dodec-8-ene-1,1-diol has a molecular weight of 200.32 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-8-ene-1,1-diol is sourced from PubChem (CID 90860381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).