2,2,3,3,4-pentamethylpentanal

C10H20O — CID 87784908

IUPAC2,2,3,3,4-pentamethylpentanal
SMILESCC(C)C(C)(C)C(C)(C)C=O
InChIInChI=1S/C10H20O/c1-8(2)10(5,6)9(3,4)7-11/h7-8H,1-6H3
InChIKeyWUVWMINFVSMGLW-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.89
Rot. Bonds3

About 2,2,3,3,4-pentamethylpentanal

2,2,3,3,4-pentamethylpentanal (PubChem CID 87784908) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 2,2,3,3,4-pentamethylpentanal.

Molecular Properties

Compound Name2,2,3,3,4-pentamethylpentanal
PubChem CID87784908
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name2,2,3,3,4-pentamethylpentanal
SMILESCC(C)C(C)(C)C(C)(C)C=O
InChIInChI=1S/C10H20O/c1-8(2)10(5,6)9(3,4)7-11/h7-8H,1-6H3
InChIKeyWUVWMINFVSMGLW-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.89
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

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2,2,3,3,4,4-hexamethylpentanal
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2,3-dimethyl-2-(trifluoromethyl)butanal
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3,3,4,4,4-pentafluoro-2,2-dimethylbutanal
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2-methyl-2-(propan-2-ylamino)propanal
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2-methyl-2-(2-methyl-1-oxopropan-2-yl)peroxypropanal
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alumane;2,2-dimethylpropanal
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2-ethyl-2,3,3-trimethylbutanedial
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2-tert-butylsulfanylpropanal
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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentamethylpentanal?
The IUPAC name of 2,2,3,3,4-pentamethylpentanal (CID 87784908) is 2,2,3,3,4-pentamethylpentanal.
What is the SMILES notation for 2,2,3,3,4-pentamethylpentanal?
The canonical SMILES for 2,2,3,3,4-pentamethylpentanal is CC(C)C(C)(C)C(C)(C)C=O.
What is the InChIKey of 2,2,3,3,4-pentamethylpentanal?
The InChIKey is WUVWMINFVSMGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-8(2)10(5,6)9(3,4)7-11/h7-8H,1-6H3.
What are the key properties of 2,2,3,3,4-pentamethylpentanal?
2,2,3,3,4-pentamethylpentanal has a molecular weight of 156.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentamethylpentanal is sourced from PubChem (CID 87784908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).