5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one

C18H26O4 — CID 10335312

IUPAC5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one
SMILESCOC(/C=C/C1(C)C=CC(=O)O1)/C(C)=C/CCC(C)C(C)=O
InChIInChI=1S/C18H26O4/c1-13(15(3)19)7-6-8-14(2)16(21-5)9-11-18(4)12-10-17(20)22-18/h8-13,16H,6-7H2,1-5H3/b11-9+,14-8+
InChIKeyHIDDTLZHZKBOHX-NKLYCRJGSA-N
MW306.40 g/mol
LogP3.38
Rot. Bonds8

About 5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one

5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one (PubChem CID 10335312) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one.

Molecular Properties

Compound Name5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one
PubChem CID10335312
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one
SMILESCOC(/C=C/C1(C)C=CC(=O)O1)/C(C)=C/CCC(C)C(C)=O
InChIInChI=1S/C18H26O4/c1-13(15(3)19)7-6-8-14(2)16(21-5)9-11-18(4)12-10-17(20)22-18/h8-13,16H,6-7H2,1-5H3/b11-9+,14-8+
InChIKeyHIDDTLZHZKBOHX-NKLYCRJGSA-N
XLogP3.38
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one?
The IUPAC name of 5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one (CID 10335312) is 5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one.
What is the SMILES notation for 5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one?
The canonical SMILES for 5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one is COC(/C=C/C1(C)C=CC(=O)O1)/C(C)=C/CCC(C)C(C)=O.
What is the InChIKey of 5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one?
The InChIKey is HIDDTLZHZKBOHX-NKLYCRJGSA-N. The full InChI is InChI=1S/C18H26O4/c1-13(15(3)19)7-6-8-14(2)16(21-5)9-11-18(4)12-10-17(20)22-18/h8-13,16H,6-7H2,1-5H3/b11-9+,14-8+.
What are the key properties of 5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one?
5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one has a molecular weight of 306.40 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E,4E)-3-methoxy-4,8-dimethyl-9-oxodeca-1,4-dienyl]-5-methylfuran-2-one is sourced from PubChem (CID 10335312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).