3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid

C15H24O4 — CID 101387932

IUPAC3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid
SMILESCOC1=CC(C(=O)O)(C(C)C)C=C(OC)C1C(C)C
InChIInChI=1S/C15H24O4/c1-9(2)13-11(18-5)7-15(10(3)4,14(16)17)8-12(13)19-6/h7-10,13H,1-6H3,(H,16,17)
InChIKeyZQKMTOJLYGMGOV-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.06
Rot. Bonds5

About 3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid

3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid (PubChem CID 101387932) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is 3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid
PubChem CID101387932
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Name3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid
SMILESCOC1=CC(C(=O)O)(C(C)C)C=C(OC)C1C(C)C
InChIInChI=1S/C15H24O4/c1-9(2)13-11(18-5)7-15(10(3)4,14(16)17)8-12(13)19-6/h7-10,13H,1-6H3,(H,16,17)
InChIKeyZQKMTOJLYGMGOV-UHFFFAOYSA-N
XLogP3.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid?
The IUPAC name of 3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid (CID 101387932) is 3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid.
What is the SMILES notation for 3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid?
The canonical SMILES for 3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid is COC1=CC(C(=O)O)(C(C)C)C=C(OC)C1C(C)C.
What is the InChIKey of 3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid?
The InChIKey is ZQKMTOJLYGMGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-9(2)13-11(18-5)7-15(10(3)4,14(16)17)8-12(13)19-6/h7-10,13H,1-6H3,(H,16,17).
What are the key properties of 3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid?
3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid has a molecular weight of 268.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-1,4-di(propan-2-yl)cyclohexa-2,5-diene-1-carboxylic acid is sourced from PubChem (CID 101387932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).