2-hydroxy-2-methylundecanal

C12H24O2 — CID 66038378

IUPAC2-hydroxy-2-methylundecanal
SMILESCCCCCCCCCC(C)(O)C=O
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-12(2,14)11-13/h11,14H,3-10H2,1-2H3
InChIKeySCFCJVDVNNJZCR-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.08
Rot. Bonds9

About 2-hydroxy-2-methylundecanal

2-hydroxy-2-methylundecanal (PubChem CID 66038378) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-hydroxy-2-methylundecanal.

Molecular Properties

Compound Name2-hydroxy-2-methylundecanal
PubChem CID66038378
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2-hydroxy-2-methylundecanal
SMILESCCCCCCCCCC(C)(O)C=O
InChIInChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-12(2,14)11-13/h11,14H,3-10H2,1-2H3
InChIKeySCFCJVDVNNJZCR-UHFFFAOYSA-N
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2R)-2-amino-2-methylnonanal
CID 145052924
2-methyl-2-sulfanyldecanal
CID 154228508
2-amino-2-methylundecanal
CID 175716419
2-chloro-2-hydroxyheptanal
CID 118105386
2,2-dimethylhexadecanal;2-hydroxyacetaldehyde
CID 121365643
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
(E)-1-bromo-3-methyloct-1-en-3-ol
CID 13226796
4-hydroxy-4-methyl-3-oxotridecanal
CID 173417901
(E)-5,8-dimethyldodec-6-ene-5,8-diol
CID 22223420

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methylundecanal?
The IUPAC name of 2-hydroxy-2-methylundecanal (CID 66038378) is 2-hydroxy-2-methylundecanal.
What is the SMILES notation for 2-hydroxy-2-methylundecanal?
The canonical SMILES for 2-hydroxy-2-methylundecanal is CCCCCCCCCC(C)(O)C=O.
What is the InChIKey of 2-hydroxy-2-methylundecanal?
The InChIKey is SCFCJVDVNNJZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-12(2,14)11-13/h11,14H,3-10H2,1-2H3.
What are the key properties of 2-hydroxy-2-methylundecanal?
2-hydroxy-2-methylundecanal has a molecular weight of 200.32 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methylundecanal is sourced from PubChem (CID 66038378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).