(E)-dodec-4-en-6,8,10-triyn-3-ol

C12H12O — CID 23189397

IUPAC(E)-dodec-4-en-6,8,10-triyn-3-ol
SMILESCC#CC#CC#C/C=C/C(O)CC
InChIInChI=1S/C12H12O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h10-13H,4H2,1-2H3/b11-10+
InChIKeyANIGIRFDJFSBKE-ZHACJKMWSA-N
MW172.23 g/mol
LogP1.34
Rot. Bonds2

About (E)-dodec-4-en-6,8,10-triyn-3-ol

(E)-dodec-4-en-6,8,10-triyn-3-ol (PubChem CID 23189397) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is (E)-dodec-4-en-6,8,10-triyn-3-ol.

Molecular Properties

Compound Name(E)-dodec-4-en-6,8,10-triyn-3-ol
PubChem CID23189397
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name(E)-dodec-4-en-6,8,10-triyn-3-ol
SMILESCC#CC#CC#C/C=C/C(O)CC
InChIInChI=1S/C12H12O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h10-13H,4H2,1-2H3/b11-10+
InChIKeyANIGIRFDJFSBKE-ZHACJKMWSA-N
XLogP1.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-dodec-4-en-6,8,10-triyn-3-ol?
The IUPAC name of (E)-dodec-4-en-6,8,10-triyn-3-ol (CID 23189397) is (E)-dodec-4-en-6,8,10-triyn-3-ol.
What is the SMILES notation for (E)-dodec-4-en-6,8,10-triyn-3-ol?
The canonical SMILES for (E)-dodec-4-en-6,8,10-triyn-3-ol is CC#CC#CC#C/C=C/C(O)CC.
What is the InChIKey of (E)-dodec-4-en-6,8,10-triyn-3-ol?
The InChIKey is ANIGIRFDJFSBKE-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H12O/c1-3-5-6-7-8-9-10-11-12(13)4-2/h10-13H,4H2,1-2H3/b11-10+.
What are the key properties of (E)-dodec-4-en-6,8,10-triyn-3-ol?
(E)-dodec-4-en-6,8,10-triyn-3-ol has a molecular weight of 172.23 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dodec-4-en-6,8,10-triyn-3-ol is sourced from PubChem (CID 23189397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).