11-hydroxyundeca-2,9-diynal

C11H14O2 — CID 11789780

IUPAC11-hydroxyundeca-2,9-diynal
SMILESO=CC#CCCCCCC#CCO
InChIInChI=1S/C11H14O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h10,13H,1-5,11H2
InChIKeyWVGMPOQJQJQEBP-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.13
Rot. Bonds4

About 11-hydroxyundeca-2,9-diynal

11-hydroxyundeca-2,9-diynal (PubChem CID 11789780) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 11-hydroxyundeca-2,9-diynal.

Molecular Properties

Compound Name11-hydroxyundeca-2,9-diynal
PubChem CID11789780
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name11-hydroxyundeca-2,9-diynal
SMILESO=CC#CCCCCCC#CCO
InChIInChI=1S/C11H14O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h10,13H,1-5,11H2
InChIKeyWVGMPOQJQJQEBP-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-hydroxydeca-2,8-diynal
CID 11435128
non-2-yne-1,9-diol
CID 10997284
5-hydroxypent-2-ynal
CID 117265442
6-chlorohex-2-ynal
CID 55298431
hexadec-2-yn-1-ol
CID 11010038
octadec-2-yn-1-ol
CID 2825194
6-methoxyhex-2-ynal
CID 117265441
9-hydroxydeca-2,7-diynal
CID 10975820
tricosa-2,4-diynal
CID 173210642
dodec-2-yn-1-ol;undec-1-yne
CID 159187023
nona-2,5-diyne-1,9-diol
CID 175119403
8-methylnon-7-en-2-yn-1-ol
CID 130127240

Frequently Asked Questions

What is the IUPAC name of 11-hydroxyundeca-2,9-diynal?
The IUPAC name of 11-hydroxyundeca-2,9-diynal (CID 11789780) is 11-hydroxyundeca-2,9-diynal.
What is the SMILES notation for 11-hydroxyundeca-2,9-diynal?
The canonical SMILES for 11-hydroxyundeca-2,9-diynal is O=CC#CCCCCCC#CCO.
What is the InChIKey of 11-hydroxyundeca-2,9-diynal?
The InChIKey is WVGMPOQJQJQEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h10,13H,1-5,11H2.
What are the key properties of 11-hydroxyundeca-2,9-diynal?
11-hydroxyundeca-2,9-diynal has a molecular weight of 178.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxyundeca-2,9-diynal is sourced from PubChem (CID 11789780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).