(2R)-2-ethoxy-3-methylbutanal

C7H14O2 — CID 124526091

IUPAC(2R)-2-ethoxy-3-methylbutanal
SMILESCCO[C@@H](C=O)C(C)C
InChIInChI=1S/C7H14O2/c1-4-9-7(5-8)6(2)3/h5-7H,4H2,1-3H3/t7-/m0/s1
InChIKeyWBEHZSKMYNDAPJ-ZETCQYMHSA-N
MW130.19 g/mol
LogP1.25
Rot. Bonds4

About (2R)-2-ethoxy-3-methylbutanal

(2R)-2-ethoxy-3-methylbutanal (PubChem CID 124526091) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2R)-2-ethoxy-3-methylbutanal.

Molecular Properties

Compound Name(2R)-2-ethoxy-3-methylbutanal
PubChem CID124526091
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2R)-2-ethoxy-3-methylbutanal
SMILESCCO[C@@H](C=O)C(C)C
InChIInChI=1S/C7H14O2/c1-4-9-7(5-8)6(2)3/h5-7H,4H2,1-3H3/t7-/m0/s1
InChIKeyWBEHZSKMYNDAPJ-ZETCQYMHSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.25
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

3-methyl-2-(2-oxoethoxy)butanal
CID 88894798
1,1-diethoxyethane;2-methylpropanedial
CID 88830026
3-methyl-2-(2-trimethylsilylethoxymethoxy)butanal
CID 22599556
2-ethoxy-2-fluoroacetaldehyde
CID 89127218
(3-methyl-1-oxobutan-2-yl) butanoate
CID 174975126
(2R,3S)-2-methoxy-3-methylpentanal
CID 124636649
acetaldehyde;butane;1,1-diethoxyethane
CID 87162704
2,3-dimethylbutanal;ethoxyethane
CID 126485653
2-bromopropanal;cyclopropane;1,1-diethoxyethane
CID 87882353
(2S)-3-methyl-2-tri(propan-2-yl)silyloxybutanal
CID 11737026
N-(1-ethoxyethyl)-N-methylformamide
CID 87133135
(E,3S)-3-(1-ethoxyethoxy)-1-iodo-4-methylpent-1-ene
CID 88795158

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-3-methylbutanal?
The IUPAC name of (2R)-2-ethoxy-3-methylbutanal (CID 124526091) is (2R)-2-ethoxy-3-methylbutanal.
What is the SMILES notation for (2R)-2-ethoxy-3-methylbutanal?
The canonical SMILES for (2R)-2-ethoxy-3-methylbutanal is CCO[C@@H](C=O)C(C)C.
What is the InChIKey of (2R)-2-ethoxy-3-methylbutanal?
The InChIKey is WBEHZSKMYNDAPJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-9-7(5-8)6(2)3/h5-7H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of (2R)-2-ethoxy-3-methylbutanal?
(2R)-2-ethoxy-3-methylbutanal has a molecular weight of 130.19 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-3-methylbutanal is sourced from PubChem (CID 124526091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).