2-(methoxymethyl)pentanal

C7H14O2 — CID 18415610

IUPAC2-(methoxymethyl)pentanal
SMILESCCCC(C=O)COC
InChIInChI=1S/C7H14O2/c1-3-4-7(5-8)6-9-2/h5,7H,3-4,6H2,1-2H3
InChIKeyGRCKSGNJXPCBID-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.25
Rot. Bonds5

About 2-(methoxymethyl)pentanal

2-(methoxymethyl)pentanal (PubChem CID 18415610) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-(methoxymethyl)pentanal.

Molecular Properties

Compound Name2-(methoxymethyl)pentanal
PubChem CID18415610
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-(methoxymethyl)pentanal
SMILESCCCC(C=O)COC
InChIInChI=1S/C7H14O2/c1-3-4-7(5-8)6-9-2/h5,7H,3-4,6H2,1-2H3
InChIKeyGRCKSGNJXPCBID-UHFFFAOYSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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 2-(methoxymethyl)pentanal 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 2-(methoxymethyl)pentanal?
The IUPAC name of 2-(methoxymethyl)pentanal (CID 18415610) is 2-(methoxymethyl)pentanal.
What is the SMILES notation for 2-(methoxymethyl)pentanal?
The canonical SMILES for 2-(methoxymethyl)pentanal is CCCC(C=O)COC.
What is the InChIKey of 2-(methoxymethyl)pentanal?
The InChIKey is GRCKSGNJXPCBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-4-7(5-8)6-9-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-(methoxymethyl)pentanal?
2-(methoxymethyl)pentanal has a molecular weight of 130.19 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)pentanal is sourced from PubChem (CID 18415610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).