2,3-dimethylbutanal;ethoxyethane

C10H22O2 — CID 126485653

IUPAC2,3-dimethylbutanal;ethoxyethane
SMILESCC(C)C(C)C=O.CCOCC
InChIInChI=1S/C6H12O.C4H10O/c1-5(2)6(3)4-7;1-3-5-4-2/h4-6H,1-3H3;3-4H2,1-2H3
InChIKeyHEMHPCKLRSIPQD-UHFFFAOYSA-N
MW174.28 g/mol
LogP2.52
Rot. Bonds4

About 2,3-dimethylbutanal;ethoxyethane

2,3-dimethylbutanal;ethoxyethane (PubChem CID 126485653) has the molecular formula C10H22O2 and a molecular weight of 174.28 g/mol. Its IUPAC name is 2,3-dimethylbutanal;ethoxyethane.

Molecular Properties

Compound Name2,3-dimethylbutanal;ethoxyethane
PubChem CID126485653
Molecular FormulaC10H22O2
Molecular Weight174.28 g/mol
Exact Mass174.16
IUPAC Name2,3-dimethylbutanal;ethoxyethane
SMILESCC(C)C(C)C=O.CCOCC
InChIInChI=1S/C6H12O.C4H10O/c1-5(2)6(3)4-7;1-3-5-4-2/h4-6H,1-3H3;3-4H2,1-2H3
InChIKeyHEMHPCKLRSIPQD-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.28
LogP ≤ 52.52
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 2,3-dimethylbutanal;ethoxyethane?
The IUPAC name of 2,3-dimethylbutanal;ethoxyethane (CID 126485653) is 2,3-dimethylbutanal;ethoxyethane.
What is the SMILES notation for 2,3-dimethylbutanal;ethoxyethane?
The canonical SMILES for 2,3-dimethylbutanal;ethoxyethane is CC(C)C(C)C=O.CCOCC.
What is the InChIKey of 2,3-dimethylbutanal;ethoxyethane?
The InChIKey is HEMHPCKLRSIPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.C4H10O/c1-5(2)6(3)4-7;1-3-5-4-2/h4-6H,1-3H3;3-4H2,1-2H3.
What are the key properties of 2,3-dimethylbutanal;ethoxyethane?
2,3-dimethylbutanal;ethoxyethane has a molecular weight of 174.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutanal;ethoxyethane is sourced from PubChem (CID 126485653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).