(5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one

C11H16O7 — CID 14351110

IUPAC(5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one
SMILESCOCOC/C=C1\OC(=O)C(OCOC)=C1OC
InChIInChI=1S/C11H16O7/c1-13-6-16-5-4-8-9(15-3)10(11(12)18-8)17-7-14-2/h4H,5-7H2,1-3H3/b8-4-
InChIKeyWJHSOQQDFAKOKX-YWEYNIOJSA-N
MW260.24 g/mol
LogP0.53
Rot. Bonds8

About (5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one

(5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one (PubChem CID 14351110) has the molecular formula C11H16O7 and a molecular weight of 260.24 g/mol. Its IUPAC name is (5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one
PubChem CID14351110
Molecular FormulaC11H16O7
Molecular Weight260.24 g/mol
Exact Mass260.09
IUPAC Name(5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one
SMILESCOCOC/C=C1\OC(=O)C(OCOC)=C1OC
InChIInChI=1S/C11H16O7/c1-13-6-16-5-4-8-9(15-3)10(11(12)18-8)17-7-14-2/h4H,5-7H2,1-3H3/b8-4-
InChIKeyWJHSOQQDFAKOKX-YWEYNIOJSA-N
XLogP0.53
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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 (5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one?
The IUPAC name of (5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one (CID 14351110) is (5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one.
What is the SMILES notation for (5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one?
The canonical SMILES for (5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one is COCOC/C=C1\OC(=O)C(OCOC)=C1OC.
What is the InChIKey of (5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one?
The InChIKey is WJHSOQQDFAKOKX-YWEYNIOJSA-N. The full InChI is InChI=1S/C11H16O7/c1-13-6-16-5-4-8-9(15-3)10(11(12)18-8)17-7-14-2/h4H,5-7H2,1-3H3/b8-4-.
What are the key properties of (5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one?
(5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one has a molecular weight of 260.24 g/mol, XLogP of 0.53, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methoxy-3-(methoxymethoxy)-5-[2-(methoxymethoxy)ethylidene]furan-2-one is sourced from PubChem (CID 14351110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).