(2S)-2-(methoxymethoxy)hex-5-enal

C8H14O3 — CID 24796886

IUPAC(2S)-2-(methoxymethoxy)hex-5-enal
SMILESC=CCC[C@@H](C=O)OCOC
InChIInChI=1S/C8H14O3/c1-3-4-5-8(6-9)11-7-10-2/h3,6,8H,1,4-5,7H2,2H3/t8-/m0/s1
InChIKeyPWBFFOXVMSPYPX-QMMMGPOBSA-N
MW158.20 g/mol
LogP1.14
Rot. Bonds7

About (2S)-2-(methoxymethoxy)hex-5-enal

(2S)-2-(methoxymethoxy)hex-5-enal (PubChem CID 24796886) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-(methoxymethoxy)hex-5-enal.

Molecular Properties

Compound Name(2S)-2-(methoxymethoxy)hex-5-enal
PubChem CID24796886
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(2S)-2-(methoxymethoxy)hex-5-enal
SMILESC=CCC[C@@H](C=O)OCOC
InChIInChI=1S/C8H14O3/c1-3-4-5-8(6-9)11-7-10-2/h3,6,8H,1,4-5,7H2,2H3/t8-/m0/s1
InChIKeyPWBFFOXVMSPYPX-QMMMGPOBSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S)-2-(methoxymethoxy)hex-5-enal 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)-2-(methoxymethoxy)hex-5-enal?
The IUPAC name of (2S)-2-(methoxymethoxy)hex-5-enal (CID 24796886) is (2S)-2-(methoxymethoxy)hex-5-enal.
What is the SMILES notation for (2S)-2-(methoxymethoxy)hex-5-enal?
The canonical SMILES for (2S)-2-(methoxymethoxy)hex-5-enal is C=CCC[C@@H](C=O)OCOC.
What is the InChIKey of (2S)-2-(methoxymethoxy)hex-5-enal?
The InChIKey is PWBFFOXVMSPYPX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-4-5-8(6-9)11-7-10-2/h3,6,8H,1,4-5,7H2,2H3/t8-/m0/s1.
What are the key properties of (2S)-2-(methoxymethoxy)hex-5-enal?
(2S)-2-(methoxymethoxy)hex-5-enal has a molecular weight of 158.20 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methoxymethoxy)hex-5-enal is sourced from PubChem (CID 24796886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).