3-hydroxy-6,8-dimethylnonanal

C11H22O2 — CID 87291024

IUPAC3-hydroxy-6,8-dimethylnonanal
SMILESCC(C)CC(C)CCC(O)CC=O
InChIInChI=1S/C11H22O2/c1-9(2)8-10(3)4-5-11(13)6-7-12/h7,9-11,13H,4-6,8H2,1-3H3
InChIKeyIQTGGBRAHADVNI-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.40
Rot. Bonds7

About 3-hydroxy-6,8-dimethylnonanal

3-hydroxy-6,8-dimethylnonanal (PubChem CID 87291024) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-hydroxy-6,8-dimethylnonanal.

Molecular Properties

Compound Name3-hydroxy-6,8-dimethylnonanal
PubChem CID87291024
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-hydroxy-6,8-dimethylnonanal
SMILESCC(C)CC(C)CCC(O)CC=O
InChIInChI=1S/C11H22O2/c1-9(2)8-10(3)4-5-11(13)6-7-12/h7,9-11,13H,4-6,8H2,1-3H3
InChIKeyIQTGGBRAHADVNI-UHFFFAOYSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6,8-dimethylnonanal?
The IUPAC name of 3-hydroxy-6,8-dimethylnonanal (CID 87291024) is 3-hydroxy-6,8-dimethylnonanal.
What is the SMILES notation for 3-hydroxy-6,8-dimethylnonanal?
The canonical SMILES for 3-hydroxy-6,8-dimethylnonanal is CC(C)CC(C)CCC(O)CC=O.
What is the InChIKey of 3-hydroxy-6,8-dimethylnonanal?
The InChIKey is IQTGGBRAHADVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)8-10(3)4-5-11(13)6-7-12/h7,9-11,13H,4-6,8H2,1-3H3.
What are the key properties of 3-hydroxy-6,8-dimethylnonanal?
3-hydroxy-6,8-dimethylnonanal has a molecular weight of 186.29 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6,8-dimethylnonanal is sourced from PubChem (CID 87291024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).