6-hydroxydecanal

C10H20O2 — CID 86178467

IUPAC6-hydroxydecanal
SMILESCCCCC(O)CCCCC=O
InChIInChI=1S/C10H20O2/c1-2-3-7-10(12)8-5-4-6-9-11/h9-10,12H,2-8H2,1H3
InChIKeyYJHJJIINCBWKBQ-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.30
Rot. Bonds8

About 6-hydroxydecanal

6-hydroxydecanal (PubChem CID 86178467) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 6-hydroxydecanal.

Molecular Properties

Compound Name6-hydroxydecanal
PubChem CID86178467
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name6-hydroxydecanal
SMILESCCCCC(O)CCCCC=O
InChIInChI=1S/C10H20O2/c1-2-3-7-10(12)8-5-4-6-9-11/h9-10,12H,2-8H2,1H3
InChIKeyYJHJJIINCBWKBQ-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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

5-hydroxyoctanal
CID 54248840
(Z)-4-hydroxyoctadec-9-enal
CID 173341795
12-hydroxytetradecanal
CID 90714775
(E)-12-hydroxyoctadec-9-enal
CID 87273358
(E)-hentetracont-36-en-5-ol
CID 87492179
7-(hydroxymethyl)undecanal
CID 123467970
(3S)-3-hydroxyheptanal
CID 15258469
6-ethenyldecanal
CID 18790893
icosane-5,11-diol
CID 170722582
(5S)-octadecan-5-ol
CID 98231191
tritetracontan-5-ol
CID 162898528
icosane-5,10-diol
CID 170722579

Frequently Asked Questions

What is the IUPAC name of 6-hydroxydecanal?
The IUPAC name of 6-hydroxydecanal (CID 86178467) is 6-hydroxydecanal.
What is the SMILES notation for 6-hydroxydecanal?
The canonical SMILES for 6-hydroxydecanal is CCCCC(O)CCCCC=O.
What is the InChIKey of 6-hydroxydecanal?
The InChIKey is YJHJJIINCBWKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-2-3-7-10(12)8-5-4-6-9-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 6-hydroxydecanal?
6-hydroxydecanal has a molecular weight of 172.27 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxydecanal is sourced from PubChem (CID 86178467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).