2-hydroxyhexanal;2-hydroxyoctanal

C14H28O4 — CID 146305584

IUPAC2-hydroxyhexanal;2-hydroxyoctanal
SMILESCCCCC(O)C=O.CCCCCCC(O)C=O
InChIInChI=1S/C8H16O2.C6H12O2/c1-2-3-4-5-6-8(10)7-9;1-2-3-4-6(8)5-7/h7-8,10H,2-6H2,1H3;5-6,8H,2-4H2,1H3
InChIKeyRAELENWVFWDDQV-UHFFFAOYSA-N
MW260.37 g/mol
LogP2.25
Rot. Bonds10

About 2-hydroxyhexanal;2-hydroxyoctanal

2-hydroxyhexanal;2-hydroxyoctanal (PubChem CID 146305584) has the molecular formula C14H28O4 and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-hydroxyhexanal;2-hydroxyoctanal.

Molecular Properties

Compound Name2-hydroxyhexanal;2-hydroxyoctanal
PubChem CID146305584
Molecular FormulaC14H28O4
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2-hydroxyhexanal;2-hydroxyoctanal
SMILESCCCCC(O)C=O.CCCCCCC(O)C=O
InChIInChI=1S/C8H16O2.C6H12O2/c1-2-3-4-5-6-8(10)7-9;1-2-3-4-6(8)5-7/h7-8,10H,2-6H2,1H3;5-6,8H,2-4H2,1H3
InChIKeyRAELENWVFWDDQV-UHFFFAOYSA-N
XLogP2.25
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(E)-2-hydroxyoctadec-9-enal
CID 88545157
4-hydroxynonadec-2-enal
CID 3025773
4-hydroxyoctadec-2-enal
CID 3025772
(E)-4-hydroxydec-2-enal
CID 6439956
4-hydroxyheptacos-2-enoic acid
CID 88698148
heptadec-1-en-3-ol
CID 11858939
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
(4S)-4-hydroxynon-2-enal
CID 173082436
3-hydroxy-2-methyldecanal
CID 87290911
2-undecylpropanedial
CID 20505732
2-(dihydroxymethyl)heptanal
CID 174908382

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyhexanal;2-hydroxyoctanal?
The IUPAC name of 2-hydroxyhexanal;2-hydroxyoctanal (CID 146305584) is 2-hydroxyhexanal;2-hydroxyoctanal.
What is the SMILES notation for 2-hydroxyhexanal;2-hydroxyoctanal?
The canonical SMILES for 2-hydroxyhexanal;2-hydroxyoctanal is CCCCC(O)C=O.CCCCCCC(O)C=O.
What is the InChIKey of 2-hydroxyhexanal;2-hydroxyoctanal?
The InChIKey is RAELENWVFWDDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2.C6H12O2/c1-2-3-4-5-6-8(10)7-9;1-2-3-4-6(8)5-7/h7-8,10H,2-6H2,1H3;5-6,8H,2-4H2,1H3.
What are the key properties of 2-hydroxyhexanal;2-hydroxyoctanal?
2-hydroxyhexanal;2-hydroxyoctanal has a molecular weight of 260.37 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyhexanal;2-hydroxyoctanal is sourced from PubChem (CID 146305584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).