3-hydroxy-4,8-dimethylnonanal

C11H22O2 — CID 87291569

IUPAC3-hydroxy-4,8-dimethylnonanal
SMILESCC(C)CCCC(C)C(O)CC=O
InChIInChI=1S/C11H22O2/c1-9(2)5-4-6-10(3)11(13)7-8-12/h8-11,13H,4-7H2,1-3H3
InChIKeyIXEXGFLTYGOPKT-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.40
Rot. Bonds7

About 3-hydroxy-4,8-dimethylnonanal

3-hydroxy-4,8-dimethylnonanal (PubChem CID 87291569) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 3-hydroxy-4,8-dimethylnonanal.

Molecular Properties

Compound Name3-hydroxy-4,8-dimethylnonanal
PubChem CID87291569
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name3-hydroxy-4,8-dimethylnonanal
SMILESCC(C)CCCC(C)C(O)CC=O
InChIInChI=1S/C11H22O2/c1-9(2)5-4-6-10(3)11(13)7-8-12/h8-11,13H,4-7H2,1-3H3
InChIKeyIXEXGFLTYGOPKT-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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Related Compounds

3,7,11-trimethyldodecanal
CID 14420009
2-hydroxy-3,7,11,15-tetramethylhexadecanal
CID 91588930
(1S,4R,5S)-1-amino-5,9-dimethyldecane-1,4-diol
CID 163672470
(3R,4R)-3,4-dihydroxyhexanedial
CID 130673483
(2R,3R,4R)-2,3,4-trihydroxy-8-methylnonanal
CID 139665627
(E)-5-hydroxy-6-methyldec-2-enal
CID 87291408
(3R,4S)-3,4-dihydroxyhexanal
CID 59992906
(6R)-6,10-dimethylundec-3-en-2-ol
CID 54275646
(4R)-8-methylnon-1-en-4-ol
CID 11672703
18-methylnonadecanal
CID 22123977
12-methyltridecanal
CID 146297718
alumane;6-methylheptanal
CID 174999973

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4,8-dimethylnonanal?
The IUPAC name of 3-hydroxy-4,8-dimethylnonanal (CID 87291569) is 3-hydroxy-4,8-dimethylnonanal.
What is the SMILES notation for 3-hydroxy-4,8-dimethylnonanal?
The canonical SMILES for 3-hydroxy-4,8-dimethylnonanal is CC(C)CCCC(C)C(O)CC=O.
What is the InChIKey of 3-hydroxy-4,8-dimethylnonanal?
The InChIKey is IXEXGFLTYGOPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)5-4-6-10(3)11(13)7-8-12/h8-11,13H,4-7H2,1-3H3.
What are the key properties of 3-hydroxy-4,8-dimethylnonanal?
3-hydroxy-4,8-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-4,8-dimethylnonanal is sourced from PubChem (CID 87291569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).