(2R)-2-chloro-3,3-dimethylbutanal

C6H11ClO — CID 11367012

IUPAC(2R)-2-chloro-3,3-dimethylbutanal
SMILESCC(C)(C)[C@@H](Cl)C=O
InChIInChI=1S/C6H11ClO/c1-6(2,3)5(7)4-8/h4-5H,1-3H3/t5-/m0/s1
InChIKeyXUOMQVSEWBWEBA-YFKPBYRVSA-N
MW134.61 g/mol
LogP1.84
Rot. Bonds1

About (2R)-2-chloro-3,3-dimethylbutanal

(2R)-2-chloro-3,3-dimethylbutanal (PubChem CID 11367012) has the molecular formula C6H11ClO and a molecular weight of 134.61 g/mol. Its IUPAC name is (2R)-2-chloro-3,3-dimethylbutanal.

Molecular Properties

Compound Name(2R)-2-chloro-3,3-dimethylbutanal
PubChem CID11367012
Molecular FormulaC6H11ClO
Molecular Weight134.61 g/mol
Exact Mass134.05
IUPAC Name(2R)-2-chloro-3,3-dimethylbutanal
SMILESCC(C)(C)[C@@H](Cl)C=O
InChIInChI=1S/C6H11ClO/c1-6(2,3)5(7)4-8/h4-5H,1-3H3/t5-/m0/s1
InChIKeyXUOMQVSEWBWEBA-YFKPBYRVSA-N
XLogP1.84
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.61
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-3,3-dimethylbutanal?
The IUPAC name of (2R)-2-chloro-3,3-dimethylbutanal (CID 11367012) is (2R)-2-chloro-3,3-dimethylbutanal.
What is the SMILES notation for (2R)-2-chloro-3,3-dimethylbutanal?
The canonical SMILES for (2R)-2-chloro-3,3-dimethylbutanal is CC(C)(C)[C@@H](Cl)C=O.
What is the InChIKey of (2R)-2-chloro-3,3-dimethylbutanal?
The InChIKey is XUOMQVSEWBWEBA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11ClO/c1-6(2,3)5(7)4-8/h4-5H,1-3H3/t5-/m0/s1.
What are the key properties of (2R)-2-chloro-3,3-dimethylbutanal?
(2R)-2-chloro-3,3-dimethylbutanal has a molecular weight of 134.61 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-3,3-dimethylbutanal is sourced from PubChem (CID 11367012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).