2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal

C10H20O2 — CID 10487411

IUPAC2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal
SMILESCC(C)CC(O)(C=O)CC(C)C
InChIInChI=1S/C10H20O2/c1-8(2)5-10(12,7-11)6-9(3)4/h7-9,12H,5-6H2,1-4H3
InChIKeyTWZMSDGYOJZXNL-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.01
Rot. Bonds5

About 2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal

2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal (PubChem CID 10487411) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal.

Molecular Properties

Compound Name2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal
PubChem CID10487411
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal
SMILESCC(C)CC(O)(C=O)CC(C)C
InChIInChI=1S/C10H20O2/c1-8(2)5-10(12,7-11)6-9(3)4/h7-9,12H,5-6H2,1-4H3
InChIKeyTWZMSDGYOJZXNL-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-bis(3-methylbutan-2-yl)-2,4-bis(2-methylpropyl)-3-oxopentanedial
CID 169225610
(2S)-2-amino-2-(hydroxymethyl)-4-methylpentanal
CID 166707756
2-ethyl-2-(hydroxymethyl)-4-methylpentanal
CID 154351478
N-(2-hydroxy-2,4-dimethylpentyl)formamide
CID 66180858
methanamine;molecular hydrogen;2,2,4-trimethylpentanal
CID 177024221
[(3S)-3-formyl-2,2,5-trimethylhexan-3-yl]carbamic acid
CID 87725612
2,4,4-trimethylpentanal;2,2,4-trimethylpentane
CID 172777004
3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide
CID 139781275
1,1-dimethoxy-3-methylbutan-1-ol
CID 11435025
tert-butyl N-(2,4-dimethyl-1-oxopentan-2-yl)carbamate
CID 84726178
3-hydroxy-2,3,5-trimethylhexanoic acid
CID 62399218
5-hydroxy-2,2,4-trimethylpentanal
CID 91088548

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal?
The IUPAC name of 2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal (CID 10487411) is 2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal.
What is the SMILES notation for 2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal?
The canonical SMILES for 2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal is CC(C)CC(O)(C=O)CC(C)C.
What is the InChIKey of 2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal?
The InChIKey is TWZMSDGYOJZXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)5-10(12,7-11)6-9(3)4/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal?
2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal has a molecular weight of 172.27 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-2-(2-methylpropyl)pentanal is sourced from PubChem (CID 10487411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).