9-hydroxy-2,5,9-trimethyldecanal

C13H26O2 — CID 12696797

IUPAC9-hydroxy-2,5,9-trimethyldecanal
SMILESCC(C=O)CCC(C)CCCC(C)(C)O
InChIInChI=1S/C13H26O2/c1-11(7-8-12(2)10-14)6-5-9-13(3,4)15/h10-12,15H,5-9H2,1-4H3
InChIKeyZNOSLEWOGRDRLH-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.18
Rot. Bonds8

About 9-hydroxy-2,5,9-trimethyldecanal

9-hydroxy-2,5,9-trimethyldecanal (PubChem CID 12696797) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 9-hydroxy-2,5,9-trimethyldecanal.

Molecular Properties

Compound Name9-hydroxy-2,5,9-trimethyldecanal
PubChem CID12696797
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name9-hydroxy-2,5,9-trimethyldecanal
SMILESCC(C=O)CCC(C)CCCC(C)(C)O
InChIInChI=1S/C13H26O2/c1-11(7-8-12(2)10-14)6-5-9-13(3,4)15/h10-12,15H,5-9H2,1-4H3
InChIKeyZNOSLEWOGRDRLH-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.18
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

Hydroxycitronellal
CID 7888
7-Methoxy-3,7-Dimethyloctanal
CID 19223
(+-)-6-Methoxy-2,6-dimethylheptanal
CID 112491
(S)-7-hydroxy-3,7-dimethyloctanal
CID 1715134
6-Hydroxy-2,6-dimethylheptanal
CID 20554059
6-Methoxy-2,6-dimethyloctanal
CID 24755581
3,7-Dimethyl-7-ethoxyoctanal
CID 160707
7-Hydroxycitronellic acid
CID 249484
8-Hydroxy-2,6-dimethyloctan-3-one
CID 3019961
(S)-7-Methoxy-3,7-dimethyloctanal
CID 6999891
(5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one
CID 102096486
(r)-7-Hydroxy-3,7-dimethyl-octanal
CID 1550260

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2,5,9-trimethyldecanal?
The IUPAC name of 9-hydroxy-2,5,9-trimethyldecanal (CID 12696797) is 9-hydroxy-2,5,9-trimethyldecanal.
What is the SMILES notation for 9-hydroxy-2,5,9-trimethyldecanal?
The canonical SMILES for 9-hydroxy-2,5,9-trimethyldecanal is CC(C=O)CCC(C)CCCC(C)(C)O.
What is the InChIKey of 9-hydroxy-2,5,9-trimethyldecanal?
The InChIKey is ZNOSLEWOGRDRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-11(7-8-12(2)10-14)6-5-9-13(3,4)15/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 9-hydroxy-2,5,9-trimethyldecanal?
9-hydroxy-2,5,9-trimethyldecanal has a molecular weight of 214.35 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2,5,9-trimethyldecanal is sourced from PubChem (CID 12696797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).