4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid

C15H20O2S — CID 901646

IUPAC4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid
SMILESCC1=C(c2c(C)sc(C)c2C(=O)O)[C@H](C)CCC1
InChIInChI=1S/C15H20O2S/c1-8-6-5-7-9(2)12(8)13-10(3)18-11(4)14(13)15(16)17/h8H,5-7H2,1-4H3,(H,16,17)/t8-/m1/s1
InChIKeyLTZPSPMFLLFISQ-MRVPVSSYSA-N
MW264.39 g/mol
LogP4.66
Rot. Bonds2

About 4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid

4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid (PubChem CID 901646) has the molecular formula C15H20O2S and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid
PubChem CID901646
Molecular FormulaC15H20O2S
Molecular Weight264.39 g/mol
Exact Mass264.12
IUPAC Name4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid
SMILESCC1=C(c2c(C)sc(C)c2C(=O)O)[C@H](C)CCC1
InChIInChI=1S/C15H20O2S/c1-8-6-5-7-9(2)12(8)13-10(3)18-11(4)14(13)15(16)17/h8H,5-7H2,1-4H3,(H,16,17)/t8-/m1/s1
InChIKeyLTZPSPMFLLFISQ-MRVPVSSYSA-N
XLogP4.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid?
The IUPAC name of 4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid (CID 901646) is 4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid.
What is the SMILES notation for 4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid?
The canonical SMILES for 4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid is CC1=C(c2c(C)sc(C)c2C(=O)O)[C@H](C)CCC1.
What is the InChIKey of 4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid?
The InChIKey is LTZPSPMFLLFISQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H20O2S/c1-8-6-5-7-9(2)12(8)13-10(3)18-11(4)14(13)15(16)17/h8H,5-7H2,1-4H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid?
4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid has a molecular weight of 264.39 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-2,6-dimethylcyclohexen-1-yl]-2,5-dimethylthiophene-3-carboxylic acid is sourced from PubChem (CID 901646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).