9-hydroxy-2-methylnonanal

C10H20O2 — CID 140839746

IUPAC9-hydroxy-2-methylnonanal
SMILESCC(C=O)CCCCCCCO
InChIInChI=1S/C10H20O2/c1-10(9-12)7-5-3-2-4-6-8-11/h9-11H,2-8H2,1H3
InChIKeyHNCYQBOHSATOGL-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.15
Rot. Bonds8

About 9-hydroxy-2-methylnonanal

9-hydroxy-2-methylnonanal (PubChem CID 140839746) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 9-hydroxy-2-methylnonanal.

Molecular Properties

Compound Name9-hydroxy-2-methylnonanal
PubChem CID140839746
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name9-hydroxy-2-methylnonanal
SMILESCC(C=O)CCCCCCCO
InChIInChI=1S/C10H20O2/c1-10(9-12)7-5-3-2-4-6-8-11/h9-11H,2-8H2,1H3
InChIKeyHNCYQBOHSATOGL-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.15
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'}

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Related Compounds

15-hydroxy-2-methylpentadecanal
CID 140839749
(2S)-6-hydroxy-2-methylhexanal
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2,9-dimethyldecanal
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2-methyldodecanal
CID 87784106
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-methylundecanal
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(E)-7-methyldec-8-en-1-ol
CID 87112464
2-methylundec-10-enal
CID 547085
(2S,6S)-6-hydroxy-2-methyldodecanal
CID 101186421
14-methyl-15-oxopentadec-2-enoic acid
CID 163045646
1-methyltricosane-1,6,12,19-tetracarbaldehyde
CID 174477373
(2S,6S,10S,14S)-2,6,10,14-tetramethylhenicosanal
CID 139263692
4-[bis(6-methoxyhexyl)amino]butan-1-ol;2-decyltetradecanal;2-methylundecanal
CID 171814296

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-methylnonanal?
The IUPAC name of 9-hydroxy-2-methylnonanal (CID 140839746) is 9-hydroxy-2-methylnonanal.
What is the SMILES notation for 9-hydroxy-2-methylnonanal?
The canonical SMILES for 9-hydroxy-2-methylnonanal is CC(C=O)CCCCCCCO.
What is the InChIKey of 9-hydroxy-2-methylnonanal?
The InChIKey is HNCYQBOHSATOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-10(9-12)7-5-3-2-4-6-8-11/h9-11H,2-8H2,1H3.
What are the key properties of 9-hydroxy-2-methylnonanal?
9-hydroxy-2-methylnonanal has a molecular weight of 172.27 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-methylnonanal is sourced from PubChem (CID 140839746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).