2-hydroxy-2-methylhexanal

C7H14O2 — CID 3471043

IUPAC2-hydroxy-2-methylhexanal
SMILESCCCCC(C)(O)C=O
InChIInChI=1S/C7H14O2/c1-3-4-5-7(2,9)6-8/h6,9H,3-5H2,1-2H3
InChIKeyUZFZXFNCUUULCV-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.13
Rot. Bonds4

About 2-hydroxy-2-methylhexanal

2-hydroxy-2-methylhexanal (PubChem CID 3471043) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-hydroxy-2-methylhexanal.

Molecular Properties

Compound Name2-hydroxy-2-methylhexanal
PubChem CID3471043
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-hydroxy-2-methylhexanal
SMILESCCCCC(C)(O)C=O
InChIInChI=1S/C7H14O2/c1-3-4-5-7(2,9)6-8/h6,9H,3-5H2,1-2H3
InChIKeyUZFZXFNCUUULCV-UHFFFAOYSA-N
XLogP1.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-Hydroxy-2,5-dimethylhexanedial
CID 23410
2-Methyl-2-hydroxypentane-1,5-dial
CID 54303135
3-Hydroxy-3-methylhexanal
CID 65984484
2-Hydroxy-2-(trifluoromethyl)hexanal
CID 142697452
6,6,6-Trifluoro-2-hydroxy-2-methylhexanal
CID 115515628
1-Hydroxycyclopentane-1-carbaldehyde
CID 12517166
2-Ethyl-2-hydroxypentanal
CID 13260805
5-Hydroxy-5-methylhexanal
CID 14591151
2,2-Dihydroxyhexanal
CID 19733900
2-Hydroxy-2-methylpentanal
CID 21487318
2-Ethyl-2-hydroxyhexanal
CID 54393731
2-Hydroxy-5-methylhexanal
CID 58640151

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylhexanal?
The IUPAC name of 2-hydroxy-2-methylhexanal (CID 3471043) is 2-hydroxy-2-methylhexanal.
What is the SMILES notation for 2-hydroxy-2-methylhexanal?
The canonical SMILES for 2-hydroxy-2-methylhexanal is CCCCC(C)(O)C=O.
What is the InChIKey of 2-hydroxy-2-methylhexanal?
The InChIKey is UZFZXFNCUUULCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-5-7(2,9)6-8/h6,9H,3-5H2,1-2H3.
What are the key properties of 2-hydroxy-2-methylhexanal?
2-hydroxy-2-methylhexanal has a molecular weight of 130.19 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylhexanal is sourced from PubChem (CID 3471043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).