2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid

C12H18O3 — CID 70891725

IUPAC2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid
SMILESCC1=C(C(=O)O)CC(C2CCCCC2)O1
InChIInChI=1S/C12H18O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h9,11H,2-7H2,1H3,(H,13,14)
InChIKeyHDBMWWLHLUDEEY-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.71
Rot. Bonds2

About 2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid

2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid (PubChem CID 70891725) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid
PubChem CID70891725
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid
SMILESCC1=C(C(=O)O)CC(C2CCCCC2)O1
InChIInChI=1S/C12H18O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h9,11H,2-7H2,1H3,(H,13,14)
InChIKeyHDBMWWLHLUDEEY-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid?
The IUPAC name of 2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid (CID 70891725) is 2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid is CC1=C(C(=O)O)CC(C2CCCCC2)O1.
What is the InChIKey of 2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid?
The InChIKey is HDBMWWLHLUDEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h9,11H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid?
2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid has a molecular weight of 210.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-5-methyl-2,3-dihydrofuran-4-carboxylic acid is sourced from PubChem (CID 70891725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).