(2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde

C8H14O3 — CID 124709657

IUPAC(2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde
SMILESCO[C@H](C=O)C1CCOCC1
InChIInChI=1S/C8H14O3/c1-10-8(6-9)7-2-4-11-5-3-7/h6-8H,2-5H2,1H3/t8-/m1/s1
InChIKeyNEGBAJIZAWXNFL-MRVPVSSYSA-N
MW158.20 g/mol
LogP0.63
Rot. Bonds3

About (2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde

(2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde (PubChem CID 124709657) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde.

Molecular Properties

Compound Name(2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde
PubChem CID124709657
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde
SMILESCO[C@H](C=O)C1CCOCC1
InChIInChI=1S/C8H14O3/c1-10-8(6-9)7-2-4-11-5-3-7/h6-8H,2-5H2,1H3/t8-/m1/s1
InChIKeyNEGBAJIZAWXNFL-MRVPVSSYSA-N
XLogP0.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde 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)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde
CID 125041775
2-(1,1-dioxothiolan-3-yl)-2-methoxyacetaldehyde
CID 115019035
(1-methoxycyclobutyl)-(oxan-4-yl)methanol
CID 116710425
(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
CID 116753889
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
1,4-dioxane;trimethoxymethane
CID 18379719
methyl N-[1-(oxan-4-yl)-2-oxoethyl]carbamate;naphthalene
CID 161375634
4-(1-ethenoxyethyl)oxane
CID 176603698
deuterium monohydride;ethane;methane;2-methylpropane;bis(4-propan-2-yloxane)
CID 165012201
3-(1-methoxy-2-methylpropyl)oxolane
CID 164918486
methyl 3-methoxy-2-(oxan-4-yl)propanoate
CID 117239855
1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine
CID 116721882

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde?
The IUPAC name of (2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde (CID 124709657) is (2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde.
What is the SMILES notation for (2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde?
The canonical SMILES for (2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde is CO[C@H](C=O)C1CCOCC1.
What is the InChIKey of (2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde?
The InChIKey is NEGBAJIZAWXNFL-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H14O3/c1-10-8(6-9)7-2-4-11-5-3-7/h6-8H,2-5H2,1H3/t8-/m1/s1.
What are the key properties of (2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde?
(2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde has a molecular weight of 158.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-2-(oxan-4-yl)acetaldehyde is sourced from PubChem (CID 124709657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).