[(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate

C21H26O6 — CID 162921901

IUPAC[(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate
SMILESC=C1C=CO[C@@H]1OC(=O)/C=C(\C)CC/C=C(\C)C[C@]1(OC)C=C(C)C(=O)O1
InChIInChI=1S/C21H26O6/c1-14(11-18(22)26-20-16(3)9-10-25-20)7-6-8-15(2)12-21(24-5)13-17(4)19(23)27-21/h8-11,13,20H,3,6-7,12H2,1-2,4-5H3/b14-11+,15-8+/t20-,21-/m1/s1
InChIKeyOKSRMFTZKNHFJD-LWIHKTOPSA-N
MW374.43 g/mol
LogP3.86
Rot. Bonds8

About [(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate

[(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate (PubChem CID 162921901) has the molecular formula C21H26O6 and a molecular weight of 374.43 g/mol. Its IUPAC name is [(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate.

Molecular Properties

Compound Name[(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate
PubChem CID162921901
Molecular FormulaC21H26O6
Molecular Weight374.43 g/mol
Exact Mass374.17
IUPAC Name[(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate
SMILESC=C1C=CO[C@@H]1OC(=O)/C=C(\C)CC/C=C(\C)C[C@]1(OC)C=C(C)C(=O)O1
InChIInChI=1S/C21H26O6/c1-14(11-18(22)26-20-16(3)9-10-25-20)7-6-8-15(2)12-21(24-5)13-17(4)19(23)27-21/h8-11,13,20H,3,6-7,12H2,1-2,4-5H3/b14-11+,15-8+/t20-,21-/m1/s1
InChIKeyOKSRMFTZKNHFJD-LWIHKTOPSA-N
XLogP3.86
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate 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

2,2-Di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate
CID 18935929
2,2-Di(cyclopenten-1-yloxy)ethyl 4,4,4-trifluoro-2-methylbut-2-enoate
CID 175419222
3,3-Di(cyclopenten-1-yloxy)propyl 2-methylprop-2-enoate
CID 18458446
2,2-Di(cyclopenten-1-yloxy)ethyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 18935928
6,6-Di(cyclopenten-1-yloxy)hexyl 2-methylprop-2-enoate
CID 21330288
2-[2,2-Di(cyclopenten-1-yloxy)ethoxy]ethyl 2-methylprop-2-enoate
CID 21330289
2,2-Di(cyclopenta-1,3-dien-1-yloxy)ethyl 2-methylprop-2-enoate
CID 22223388
3-(methoxymethoxy)-4-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-2H-furan-5-one
CID 25009281
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(methoxymethoxy)-4-methyl-2H-furan-5-one
CID 25009453
1,1-Di(cyclopenta-1,3-dien-1-yloxy)butyl 2-methylprop-2-enoate
CID 54376869
6,6-Di(cyclopenten-1-yloxy)-2-methylhex-2-enoic acid
CID 57014415
5,5-Di(cyclopenten-1-yloxy)-2-methylpent-2-enoic acid
CID 57057795

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate?
The IUPAC name of [(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate (CID 162921901) is [(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate.
What is the SMILES notation for [(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate?
The canonical SMILES for [(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate is C=C1C=CO[C@@H]1OC(=O)/C=C(\C)CC/C=C(\C)C[C@]1(OC)C=C(C)C(=O)O1.
What is the InChIKey of [(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate?
The InChIKey is OKSRMFTZKNHFJD-LWIHKTOPSA-N. The full InChI is InChI=1S/C21H26O6/c1-14(11-18(22)26-20-16(3)9-10-25-20)7-6-8-15(2)12-21(24-5)13-17(4)19(23)27-21/h8-11,13,20H,3,6-7,12H2,1-2,4-5H3/b14-11+,15-8+/t20-,21-/m1/s1.
What are the key properties of [(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate?
[(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate has a molecular weight of 374.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-methylidenefuran-2-yl] (2E,6E)-8-[(2R)-2-methoxy-4-methyl-5-oxofuran-2-yl]-3,7-dimethylocta-2,6-dienoate is sourced from PubChem (CID 162921901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).