(3R)-3-(methoxymethoxy)pent-4-enal

C7H12O3 — CID 130645151

IUPAC(3R)-3-(methoxymethoxy)pent-4-enal
SMILESC=C[C@@H](CC=O)OCOC
InChIInChI=1S/C7H12O3/c1-3-7(4-5-8)10-6-9-2/h3,5,7H,1,4,6H2,2H3/t7-/m0/s1
InChIKeyJENJCDMIPKCIPW-ZETCQYMHSA-N
MW144.17 g/mol
LogP0.75
Rot. Bonds6

About (3R)-3-(methoxymethoxy)pent-4-enal

(3R)-3-(methoxymethoxy)pent-4-enal (PubChem CID 130645151) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R)-3-(methoxymethoxy)pent-4-enal.

Molecular Properties

Compound Name(3R)-3-(methoxymethoxy)pent-4-enal
PubChem CID130645151
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3R)-3-(methoxymethoxy)pent-4-enal
SMILESC=C[C@@H](CC=O)OCOC
InChIInChI=1S/C7H12O3/c1-3-7(4-5-8)10-6-9-2/h3,5,7H,1,4,6H2,2H3/t7-/m0/s1
InChIKeyJENJCDMIPKCIPW-ZETCQYMHSA-N
XLogP0.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.75
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methoxymethoxy)pent-4-enal?
The IUPAC name of (3R)-3-(methoxymethoxy)pent-4-enal (CID 130645151) is (3R)-3-(methoxymethoxy)pent-4-enal.
What is the SMILES notation for (3R)-3-(methoxymethoxy)pent-4-enal?
The canonical SMILES for (3R)-3-(methoxymethoxy)pent-4-enal is C=C[C@@H](CC=O)OCOC.
What is the InChIKey of (3R)-3-(methoxymethoxy)pent-4-enal?
The InChIKey is JENJCDMIPKCIPW-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-7(4-5-8)10-6-9-2/h3,5,7H,1,4,6H2,2H3/t7-/m0/s1.
What are the key properties of (3R)-3-(methoxymethoxy)pent-4-enal?
(3R)-3-(methoxymethoxy)pent-4-enal has a molecular weight of 144.17 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methoxymethoxy)pent-4-enal is sourced from PubChem (CID 130645151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).