(2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde

C8H14O3 — CID 59821302

IUPAC(2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde
SMILESCO[C@H]1C[C@H](C)C[C@@H](C=O)O1
InChIInChI=1S/C8H14O3/c1-6-3-7(5-9)11-8(4-6)10-2/h5-8H,3-4H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyOUVIKQYDVQQJEO-GJMOJQLCSA-N
MW158.20 g/mol
LogP0.97
Rot. Bonds2

About (2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde

(2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde (PubChem CID 59821302) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde
PubChem CID59821302
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde
SMILESCO[C@H]1C[C@H](C)C[C@@H](C=O)O1
InChIInChI=1S/C8H14O3/c1-6-3-7(5-9)11-8(4-6)10-2/h5-8H,3-4H2,1-2H3/t6-,7+,8-/m1/s1
InChIKeyOUVIKQYDVQQJEO-GJMOJQLCSA-N
XLogP0.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde?
The IUPAC name of (2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde (CID 59821302) is (2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde.
What is the SMILES notation for (2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde?
The canonical SMILES for (2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde is CO[C@H]1C[C@H](C)C[C@@H](C=O)O1.
What is the InChIKey of (2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde?
The InChIKey is OUVIKQYDVQQJEO-GJMOJQLCSA-N. The full InChI is InChI=1S/C8H14O3/c1-6-3-7(5-9)11-8(4-6)10-2/h5-8H,3-4H2,1-2H3/t6-,7+,8-/m1/s1.
What are the key properties of (2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde?
(2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde has a molecular weight of 158.20 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6R)-6-methoxy-4-methyloxane-2-carbaldehyde is sourced from PubChem (CID 59821302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).