(2R,3S)-2-methoxy-3-methylpentanal

C7H14O2 — CID 124636649

IUPAC(2R,3S)-2-methoxy-3-methylpentanal
SMILESCC[C@H](C)[C@H](C=O)OC
InChIInChI=1S/C7H14O2/c1-4-6(2)7(5-8)9-3/h5-7H,4H2,1-3H3/t6-,7-/m0/s1
InChIKeyRGNLXKQOCWDZPK-BQBZGAKWSA-N
MW130.19 g/mol
LogP1.25
Rot. Bonds4

About (2R,3S)-2-methoxy-3-methylpentanal

(2R,3S)-2-methoxy-3-methylpentanal (PubChem CID 124636649) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (2R,3S)-2-methoxy-3-methylpentanal.

Molecular Properties

Compound Name(2R,3S)-2-methoxy-3-methylpentanal
PubChem CID124636649
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(2R,3S)-2-methoxy-3-methylpentanal
SMILESCC[C@H](C)[C@H](C=O)OC
InChIInChI=1S/C7H14O2/c1-4-6(2)7(5-8)9-3/h5-7H,4H2,1-3H3/t6-,7-/m0/s1
InChIKeyRGNLXKQOCWDZPK-BQBZGAKWSA-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'}

Analyze (2R,3S)-2-methoxy-3-methylpentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S)-3,4-dihydroxy-2-methoxy-5-sulfanylpentanal
CID 154998367
(2S,3R,4R,5S)-5-hydroxy-2,3,4-trimethoxyhexanal
CID 22875615
(2R,3R)-2-hydroxy-3-methylpentanal
CID 89028923
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759
(2R)-2-ethoxy-3-methylbutanal
CID 124526091
4-hydroxy-2-methoxy-3-(1-oxopropan-2-yloxy)butanal
CID 158754105
CID 91437014
CID 91437014
5-methoxy-2-methylhept-3-enal
CID 91013890
(2S,3R,4S)-2,3,4-trimethoxyhex-5-enal
CID 14374465
5-hydroxy-2,3,4-trimethoxypentanal
CID 14194048
(2S,3S)-2-[(2,6-difluorophenyl)methoxy]-3-methylpentanal
CID 131862169
(4S)-4-amino-3-methoxy-5-methylheptanal
CID 167113955

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methoxy-3-methylpentanal?
The IUPAC name of (2R,3S)-2-methoxy-3-methylpentanal (CID 124636649) is (2R,3S)-2-methoxy-3-methylpentanal.
What is the SMILES notation for (2R,3S)-2-methoxy-3-methylpentanal?
The canonical SMILES for (2R,3S)-2-methoxy-3-methylpentanal is CC[C@H](C)[C@H](C=O)OC.
What is the InChIKey of (2R,3S)-2-methoxy-3-methylpentanal?
The InChIKey is RGNLXKQOCWDZPK-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-6(2)7(5-8)9-3/h5-7H,4H2,1-3H3/t6-,7-/m0/s1.
What are the key properties of (2R,3S)-2-methoxy-3-methylpentanal?
(2R,3S)-2-methoxy-3-methylpentanal 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,3S)-2-methoxy-3-methylpentanal is sourced from PubChem (CID 124636649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).