3-ethoxy-5-(methoxymethoxy)pentanal

C9H18O4 — CID 162392523

IUPAC3-ethoxy-5-(methoxymethoxy)pentanal
SMILESCCOC(CC=O)CCOCOC
InChIInChI=1S/C9H18O4/c1-3-13-9(4-6-10)5-7-12-8-11-2/h6,9H,3-5,7-8H2,1-2H3
InChIKeyYUOQQSCTVCONGS-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.99
Rot. Bonds9

About 3-ethoxy-5-(methoxymethoxy)pentanal

3-ethoxy-5-(methoxymethoxy)pentanal (PubChem CID 162392523) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-ethoxy-5-(methoxymethoxy)pentanal.

Molecular Properties

Compound Name3-ethoxy-5-(methoxymethoxy)pentanal
PubChem CID162392523
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name3-ethoxy-5-(methoxymethoxy)pentanal
SMILESCCOC(CC=O)CCOCOC
InChIInChI=1S/C9H18O4/c1-3-13-9(4-6-10)5-7-12-8-11-2/h6,9H,3-5,7-8H2,1-2H3
InChIKeyYUOQQSCTVCONGS-UHFFFAOYSA-N
XLogP0.99
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-(methoxymethoxy)pentanal?
The IUPAC name of 3-ethoxy-5-(methoxymethoxy)pentanal (CID 162392523) is 3-ethoxy-5-(methoxymethoxy)pentanal.
What is the SMILES notation for 3-ethoxy-5-(methoxymethoxy)pentanal?
The canonical SMILES for 3-ethoxy-5-(methoxymethoxy)pentanal is CCOC(CC=O)CCOCOC.
What is the InChIKey of 3-ethoxy-5-(methoxymethoxy)pentanal?
The InChIKey is YUOQQSCTVCONGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O4/c1-3-13-9(4-6-10)5-7-12-8-11-2/h6,9H,3-5,7-8H2,1-2H3.
What are the key properties of 3-ethoxy-5-(methoxymethoxy)pentanal?
3-ethoxy-5-(methoxymethoxy)pentanal has a molecular weight of 190.24 g/mol, XLogP of 0.99, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-(methoxymethoxy)pentanal is sourced from PubChem (CID 162392523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).