2-ethyl-2,3,3-trimethylbutanedial

C9H16O2 — CID 142704092

IUPAC2-ethyl-2,3,3-trimethylbutanedial
SMILESCCC(C)(C=O)C(C)(C)C=O
InChIInChI=1S/C9H16O2/c1-5-9(4,7-11)8(2,3)6-10/h6-7H,5H2,1-4H3
InChIKeyBCKSZTLDJMNJSK-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.83
Rot. Bonds4

About 2-ethyl-2,3,3-trimethylbutanedial

2-ethyl-2,3,3-trimethylbutanedial (PubChem CID 142704092) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-ethyl-2,3,3-trimethylbutanedial.

Molecular Properties

Compound Name2-ethyl-2,3,3-trimethylbutanedial
PubChem CID142704092
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-ethyl-2,3,3-trimethylbutanedial
SMILESCCC(C)(C=O)C(C)(C)C=O
InChIInChI=1S/C9H16O2/c1-5-9(4,7-11)8(2,3)6-10/h6-7H,5H2,1-4H3
InChIKeyBCKSZTLDJMNJSK-UHFFFAOYSA-N
XLogP1.83
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2,3,3-trimethylpent-4-enal
CID 145209008
2-ethyl-2-methyl-3,3-diphenylbutanal
CID 175440032
2-chloro-2-methylbutanal
CID 13199209
2,2,3,3-tetraethylbutanedial
CID 154181619
2,2,3,3,4,4-hexamethylpentanal
CID 59119752
2,2,3-trimethyl-3-sulfanylbutanal
CID 102493683
2,2-diamino-3-methyl-3-propylbutanedial
CID 140993970
2-ethyl-2-iodobutanal
CID 12527547
2-methyl-2-propylpentanal
CID 12587446
acetaldehyde;3-methylpentan-3-ol
CID 174322693
2,2,3,3,4-pentamethylpentanal
CID 87784908
2-methyl-2-propylpropanedial
CID 87392571

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3,3-trimethylbutanedial?
The IUPAC name of 2-ethyl-2,3,3-trimethylbutanedial (CID 142704092) is 2-ethyl-2,3,3-trimethylbutanedial.
What is the SMILES notation for 2-ethyl-2,3,3-trimethylbutanedial?
The canonical SMILES for 2-ethyl-2,3,3-trimethylbutanedial is CCC(C)(C=O)C(C)(C)C=O.
What is the InChIKey of 2-ethyl-2,3,3-trimethylbutanedial?
The InChIKey is BCKSZTLDJMNJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-5-9(4,7-11)8(2,3)6-10/h6-7H,5H2,1-4H3.
What are the key properties of 2-ethyl-2,3,3-trimethylbutanedial?
2-ethyl-2,3,3-trimethylbutanedial has a molecular weight of 156.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,3-trimethylbutanedial is sourced from PubChem (CID 142704092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).