2,2,3,3-tetramethyl-5-oxohexanal

C10H18O2 — CID 12510598

IUPAC2,2,3,3-tetramethyl-5-oxohexanal
SMILESCC(=O)CC(C)(C)C(C)(C)C=O
InChIInChI=1S/C10H18O2/c1-8(12)6-9(2,3)10(4,5)7-11/h7H,6H2,1-5H3
InChIKeyHLCIXOOGCIZUBY-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.22
Rot. Bonds4

About 2,2,3,3-tetramethyl-5-oxohexanal

2,2,3,3-tetramethyl-5-oxohexanal (PubChem CID 12510598) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-5-oxohexanal.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-5-oxohexanal
PubChem CID12510598
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2,2,3,3-tetramethyl-5-oxohexanal
SMILESCC(=O)CC(C)(C)C(C)(C)C=O
InChIInChI=1S/C10H18O2/c1-8(12)6-9(2,3)10(4,5)7-11/h7H,6H2,1-5H3
InChIKeyHLCIXOOGCIZUBY-UHFFFAOYSA-N
XLogP2.22
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-5-oxohexanal?
The IUPAC name of 2,2,3,3-tetramethyl-5-oxohexanal (CID 12510598) is 2,2,3,3-tetramethyl-5-oxohexanal.
What is the SMILES notation for 2,2,3,3-tetramethyl-5-oxohexanal?
The canonical SMILES for 2,2,3,3-tetramethyl-5-oxohexanal is CC(=O)CC(C)(C)C(C)(C)C=O.
What is the InChIKey of 2,2,3,3-tetramethyl-5-oxohexanal?
The InChIKey is HLCIXOOGCIZUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(12)6-9(2,3)10(4,5)7-11/h7H,6H2,1-5H3.
What are the key properties of 2,2,3,3-tetramethyl-5-oxohexanal?
2,2,3,3-tetramethyl-5-oxohexanal has a molecular weight of 170.25 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-5-oxohexanal is sourced from PubChem (CID 12510598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).