2-methyl-2-propylpentanal

C9H18O — CID 12587446

IUPAC2-methyl-2-propylpentanal
SMILESCCCC(C)(C=O)CCC
InChIInChI=1S/C9H18O/c1-4-6-9(3,8-10)7-5-2/h8H,4-7H2,1-3H3
InChIKeyYGCRJBDYSJVBFI-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.79
Rot. Bonds5

About 2-methyl-2-propylpentanal

2-methyl-2-propylpentanal (PubChem CID 12587446) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 2-methyl-2-propylpentanal.

Molecular Properties

Compound Name2-methyl-2-propylpentanal
PubChem CID12587446
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name2-methyl-2-propylpentanal
SMILESCCCC(C)(C=O)CCC
InChIInChI=1S/C9H18O/c1-4-6-9(3,8-10)7-5-2/h8H,4-7H2,1-3H3
InChIKeyYGCRJBDYSJVBFI-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-propylpropanedial
CID 87392571
7-bromo-2,7-dimethyl-2-pentyldecanal
CID 90182766
2-methyl-2-phosphanylpentanal
CID 145198471
2-[[ethyl(propan-2-yl)amino]methyl]-2-methylpentanal
CID 62278096
2-[[3-(diethylamino)propyl-ethylamino]methyl]-2-methylpentanal
CID 102997025
2-methyl-2-(morpholin-4-ylmethyl)pentanal
CID 62276739
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-2-methylpentanal
CID 62277156
2-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)pentanal
CID 66371570
2-[(4-ethylpiperidin-1-yl)methyl]-2-methylpentanal
CID 62277215
2-[(4-hydroxypiperidin-1-yl)methyl]-2-methylpentanal
CID 62277702
2-methyl-2-[(3-methylpyrrolidin-1-yl)methyl]pentanal
CID 62278121
4-methyl-4-propylhept-2-ene
CID 123389519

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propylpentanal?
The IUPAC name of 2-methyl-2-propylpentanal (CID 12587446) is 2-methyl-2-propylpentanal.
What is the SMILES notation for 2-methyl-2-propylpentanal?
The canonical SMILES for 2-methyl-2-propylpentanal is CCCC(C)(C=O)CCC.
What is the InChIKey of 2-methyl-2-propylpentanal?
The InChIKey is YGCRJBDYSJVBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-6-9(3,8-10)7-5-2/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-propylpentanal?
2-methyl-2-propylpentanal has a molecular weight of 142.24 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylpentanal is sourced from PubChem (CID 12587446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).