(2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one

C24H26O7 — CID 163302816

IUPAC(2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one
SMILESO=C1/C(=C/c2ccc(COCC3CO3)o2)CCC/C1=C\c1ccc(COCC2CO2)o1
InChIInChI=1S/C24H26O7/c25-24-16(8-18-4-6-20(30-18)10-26-12-22-14-28-22)2-1-3-17(24)9-19-5-7-21(31-19)11-27-13-23-15-29-23/h4-9,22-23H,1-3,10-15H2/b16-8+,17-9+
InChIKeySTPOSMXMYLHDCA-GONBZBRSSA-N
MW426.47 g/mol
LogP3.92
Rot. Bonds10

About (2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one

(2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one (PubChem CID 163302816) has the molecular formula C24H26O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is (2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one
PubChem CID163302816
Molecular FormulaC24H26O7
Molecular Weight426.47 g/mol
Exact Mass426.17
IUPAC Name(2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one
SMILESO=C1/C(=C/c2ccc(COCC3CO3)o2)CCC/C1=C\c1ccc(COCC2CO2)o1
InChIInChI=1S/C24H26O7/c25-24-16(8-18-4-6-20(30-18)10-26-12-22-14-28-22)2-1-3-17(24)9-19-5-7-21(31-19)11-27-13-23-15-29-23/h4-9,22-23H,1-3,10-15H2/b16-8+,17-9+
InChIKeySTPOSMXMYLHDCA-GONBZBRSSA-N
XLogP3.92
TPSA86.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5'-Oxybis(5-methylene-2-furaldehyde)
CID 12366272
Hexanedioic acid, bis(2-furanylmethyl) ester
CID 12269171
(1E,4E)-1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one
CID 24861971
2,5-Bis((2-oxiranyl-methoxy)methyl)-furan
CID 88869582
2,5-Dihydro-2,2'-bifuran
CID 90833115
2,5-Bis[(1-methylethoxy)methyl]furan
CID 102358126
Bis(5-methylfurfuryl) ether
CID 117668509
2-(s-Butoxymethyl)-5-methylfuran
CID 118515500
2,5-Bis(s-butoxymethyl)furan
CID 118563777
(2e,6e)-2,6-Bis((5-(hydroxymethyl)furan-2-yl)methylene)cyclohexan-1-one
CID 148942283
3,6,9,12,15,20-Hexaoxabicyclo[15.2.1]icosa-1(19),17-diene
CID 12220436
2-((2-Furanylmethoxy)methyl)-5-methylfuran
CID 20560356

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one?
The IUPAC name of (2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one (CID 163302816) is (2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one?
The canonical SMILES for (2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one is O=C1/C(=C/c2ccc(COCC3CO3)o2)CCC/C1=C\c1ccc(COCC2CO2)o1.
What is the InChIKey of (2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one?
The InChIKey is STPOSMXMYLHDCA-GONBZBRSSA-N. The full InChI is InChI=1S/C24H26O7/c25-24-16(8-18-4-6-20(30-18)10-26-12-22-14-28-22)2-1-3-17(24)9-19-5-7-21(31-19)11-27-13-23-15-29-23/h4-9,22-23H,1-3,10-15H2/b16-8+,17-9+.
What are the key properties of (2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one?
(2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one has a molecular weight of 426.47 g/mol, XLogP of 3.92, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-bis[[5-(oxiran-2-ylmethoxymethyl)furan-2-yl]methylidene]cyclohexan-1-one is sourced from PubChem (CID 163302816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).