(3R)-3-(methoxymethoxy)pent-4-en-2-one

C7H12O3 — CID 102143717

IUPAC(3R)-3-(methoxymethoxy)pent-4-en-2-one
SMILESC=C[C@@H](OCOC)C(C)=O
InChIInChI=1S/C7H12O3/c1-4-7(6(2)8)10-5-9-3/h4,7H,1,5H2,2-3H3/t7-/m1/s1
InChIKeyIXERYCQMDVMBLX-SSDOTTSWSA-N
MW144.17 g/mol
LogP0.75
Rot. Bonds5

About (3R)-3-(methoxymethoxy)pent-4-en-2-one

(3R)-3-(methoxymethoxy)pent-4-en-2-one (PubChem CID 102143717) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (3R)-3-(methoxymethoxy)pent-4-en-2-one.

Molecular Properties

Compound Name(3R)-3-(methoxymethoxy)pent-4-en-2-one
PubChem CID102143717
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(3R)-3-(methoxymethoxy)pent-4-en-2-one
SMILESC=C[C@@H](OCOC)C(C)=O
InChIInChI=1S/C7H12O3/c1-4-7(6(2)8)10-5-9-3/h4,7H,1,5H2,2-3H3/t7-/m1/s1
InChIKeyIXERYCQMDVMBLX-SSDOTTSWSA-N
XLogP0.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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': '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-en-2-one?
The IUPAC name of (3R)-3-(methoxymethoxy)pent-4-en-2-one (CID 102143717) is (3R)-3-(methoxymethoxy)pent-4-en-2-one.
What is the SMILES notation for (3R)-3-(methoxymethoxy)pent-4-en-2-one?
The canonical SMILES for (3R)-3-(methoxymethoxy)pent-4-en-2-one is C=C[C@@H](OCOC)C(C)=O.
What is the InChIKey of (3R)-3-(methoxymethoxy)pent-4-en-2-one?
The InChIKey is IXERYCQMDVMBLX-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H12O3/c1-4-7(6(2)8)10-5-9-3/h4,7H,1,5H2,2-3H3/t7-/m1/s1.
What are the key properties of (3R)-3-(methoxymethoxy)pent-4-en-2-one?
(3R)-3-(methoxymethoxy)pent-4-en-2-one has a molecular weight of 144.17 g/mol, XLogP of 0.75, 5 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-en-2-one is sourced from PubChem (CID 102143717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).