10-hydroxydeca-2,8-diynal

C10H12O2 — CID 11435128

IUPAC10-hydroxydeca-2,8-diynal
SMILESO=CC#CCCCCC#CCO
InChIInChI=1S/C10H12O2/c11-9-7-5-3-1-2-4-6-8-10-12/h9,12H,1-4,10H2
InChIKeyGLBHQGYRRUIPJI-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.74
Rot. Bonds3

About 10-hydroxydeca-2,8-diynal

10-hydroxydeca-2,8-diynal (PubChem CID 11435128) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 10-hydroxydeca-2,8-diynal.

Molecular Properties

Compound Name10-hydroxydeca-2,8-diynal
PubChem CID11435128
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name10-hydroxydeca-2,8-diynal
SMILESO=CC#CCCCCC#CCO
InChIInChI=1S/C10H12O2/c11-9-7-5-3-1-2-4-6-8-10-12/h9,12H,1-4,10H2
InChIKeyGLBHQGYRRUIPJI-UHFFFAOYSA-N
XLogP0.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.74
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

11-hydroxyundeca-2,9-diynal
CID 11789780
5-hydroxypent-2-ynal
CID 117265442
6-chlorohex-2-ynal
CID 55298431
6-methoxyhex-2-ynal
CID 117265441
non-2-yne-1,9-diol
CID 10997284
9-hydroxydeca-2,7-diynal
CID 10975820
hexadec-2-yn-1-ol
CID 11010038
octadec-2-yn-1-ol
CID 2825194
nona-2,5-diyne-1,9-diol
CID 175119403
8-methylnon-7-en-2-yn-1-ol
CID 130127240
7-(furan-2-yl)hept-2-ynal
CID 102105207
tricosa-2,4-diynal
CID 173210642

Frequently Asked Questions

What is the IUPAC name of 10-hydroxydeca-2,8-diynal?
The IUPAC name of 10-hydroxydeca-2,8-diynal (CID 11435128) is 10-hydroxydeca-2,8-diynal.
What is the SMILES notation for 10-hydroxydeca-2,8-diynal?
The canonical SMILES for 10-hydroxydeca-2,8-diynal is O=CC#CCCCCC#CCO.
What is the InChIKey of 10-hydroxydeca-2,8-diynal?
The InChIKey is GLBHQGYRRUIPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-7-5-3-1-2-4-6-8-10-12/h9,12H,1-4,10H2.
What are the key properties of 10-hydroxydeca-2,8-diynal?
10-hydroxydeca-2,8-diynal has a molecular weight of 164.20 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-hydroxydeca-2,8-diynal is sourced from PubChem (CID 11435128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).