6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid

C20H26O4 — CID 163038359

IUPAC6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid
SMILESC=C1CCC(C)C(C)(CCC2=CC(=O)OC2)CC=CC=C1C(=O)O
InChIInChI=1S/C20H26O4/c1-14-7-8-15(2)20(3,10-5-4-6-17(14)19(22)23)11-9-16-12-18(21)24-13-16/h4-6,12,15H,1,7-11,13H2,2-3H3,(H,22,23)
InChIKeyCATZMOCHWKLNEK-UHFFFAOYSA-N
MW330.42 g/mol
LogP4.20
Rot. Bonds4

About 6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid

6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid (PubChem CID 163038359) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is 6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid.

Molecular Properties

Compound Name6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid
PubChem CID163038359
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid
SMILESC=C1CCC(C)C(C)(CCC2=CC(=O)OC2)CC=CC=C1C(=O)O
InChIInChI=1S/C20H26O4/c1-14-7-8-15(2)20(3,10-5-4-6-17(14)19(22)23)11-9-16-12-18(21)24-13-16/h4-6,12,15H,1,7-11,13H2,2-3H3,(H,22,23)
InChIKeyCATZMOCHWKLNEK-UHFFFAOYSA-N
XLogP4.20
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid?
The IUPAC name of 6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid (CID 163038359) is 6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid.
What is the SMILES notation for 6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid?
The canonical SMILES for 6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid is C=C1CCC(C)C(C)(CCC2=CC(=O)OC2)CC=CC=C1C(=O)O.
What is the InChIKey of 6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid?
The InChIKey is CATZMOCHWKLNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O4/c1-14-7-8-15(2)20(3,10-5-4-6-17(14)19(22)23)11-9-16-12-18(21)24-13-16/h4-6,12,15H,1,7-11,13H2,2-3H3,(H,22,23).
What are the key properties of 6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid?
6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid has a molecular weight of 330.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-10-methylidene-6-[2-(5-oxo-2H-furan-3-yl)ethyl]cyclodeca-1,3-diene-1-carboxylic acid is sourced from PubChem (CID 163038359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).