9-hydroxydeca-2,7-diynal

C10H12O2 — CID 10975820

IUPAC9-hydroxydeca-2,7-diynal
SMILESCC(O)C#CCCCC#CC=O
InChIInChI=1S/C10H12O2/c1-10(12)8-6-4-2-3-5-7-9-11/h9-10,12H,2-4H2,1H3
InChIKeyBFFPHAQPQYBRDJ-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.74
Rot. Bonds2

About 9-hydroxydeca-2,7-diynal

9-hydroxydeca-2,7-diynal (PubChem CID 10975820) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 9-hydroxydeca-2,7-diynal.

Molecular Properties

Compound Name9-hydroxydeca-2,7-diynal
PubChem CID10975820
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name9-hydroxydeca-2,7-diynal
SMILESCC(O)C#CCCCC#CC=O
InChIInChI=1S/C10H12O2/c1-10(12)8-6-4-2-3-5-7-9-11/h9-10,12H,2-4H2,1H3
InChIKeyBFFPHAQPQYBRDJ-UHFFFAOYSA-N
XLogP0.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

nona-3,8-diyn-2-ol
CID 14359838
(2R)-dec-3-yn-2-ol
CID 129384454
(2S)-heptadec-3-yn-2-ol
CID 58473313
6-methoxyhex-2-ynal
CID 117265441
(2R)-hept-3-yn-2-ol
CID 11457676
10-hydroxydeca-2,8-diynal
CID 11435128
(Z,9R)-dec-5-en-3,7-diyne-1,9-diol;(Z,9S)-dec-5-en-3,7-diyne-1,9-diol
CID 171369123
6-chlorohex-2-ynal
CID 55298431
11-hydroxyundeca-2,9-diynal
CID 11789780
5-hydroxypent-2-ynal
CID 117265442
3-hydroxy-2-pentyldec-4-ynal
CID 15474728
10-trimethylsilyloxyundec-3-yn-2-ol
CID 57425860

Frequently Asked Questions

What is the IUPAC name of 9-hydroxydeca-2,7-diynal?
The IUPAC name of 9-hydroxydeca-2,7-diynal (CID 10975820) is 9-hydroxydeca-2,7-diynal.
What is the SMILES notation for 9-hydroxydeca-2,7-diynal?
The canonical SMILES for 9-hydroxydeca-2,7-diynal is CC(O)C#CCCCC#CC=O.
What is the InChIKey of 9-hydroxydeca-2,7-diynal?
The InChIKey is BFFPHAQPQYBRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(12)8-6-4-2-3-5-7-9-11/h9-10,12H,2-4H2,1H3.
What are the key properties of 9-hydroxydeca-2,7-diynal?
9-hydroxydeca-2,7-diynal has a molecular weight of 164.20 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxydeca-2,7-diynal is sourced from PubChem (CID 10975820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).