2-tert-butyl-2,3,3-trimethylbutanal

C11H22O — CID 20714170

IUPAC2-tert-butyl-2,3,3-trimethylbutanal
SMILESCC(C)(C)C(C)(C=O)C(C)(C)C
InChIInChI=1S/C11H22O/c1-9(2,3)11(7,8-12)10(4,5)6/h8H,1-7H3
InChIKeyNWMYUQSWODVDKI-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.28
Rot. Bonds1

About 2-tert-butyl-2,3,3-trimethylbutanal

2-tert-butyl-2,3,3-trimethylbutanal (PubChem CID 20714170) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2-tert-butyl-2,3,3-trimethylbutanal.

Molecular Properties

Compound Name2-tert-butyl-2,3,3-trimethylbutanal
PubChem CID20714170
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2-tert-butyl-2,3,3-trimethylbutanal
SMILESCC(C)(C)C(C)(C=O)C(C)(C)C
InChIInChI=1S/C11H22O/c1-9(2,3)11(7,8-12)10(4,5)6/h8H,1-7H3
InChIKeyNWMYUQSWODVDKI-UHFFFAOYSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-tert-butyl-2,3,3-trimethylbutanal?
The IUPAC name of 2-tert-butyl-2,3,3-trimethylbutanal (CID 20714170) is 2-tert-butyl-2,3,3-trimethylbutanal.
What is the SMILES notation for 2-tert-butyl-2,3,3-trimethylbutanal?
The canonical SMILES for 2-tert-butyl-2,3,3-trimethylbutanal is CC(C)(C)C(C)(C=O)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-2,3,3-trimethylbutanal?
The InChIKey is NWMYUQSWODVDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-9(2,3)11(7,8-12)10(4,5)6/h8H,1-7H3.
What are the key properties of 2-tert-butyl-2,3,3-trimethylbutanal?
2-tert-butyl-2,3,3-trimethylbutanal has a molecular weight of 170.30 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2,3,3-trimethylbutanal is sourced from PubChem (CID 20714170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).