4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid

C19H28O2 — CID 81013895

IUPAC4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(CC2CC(C)(C)CCC2C(=O)O)cc1
InChIInChI=1S/C19H28O2/c1-13(2)15-7-5-14(6-8-15)11-16-12-19(3,4)10-9-17(16)18(20)21/h5-8,13,16-17H,9-12H2,1-4H3,(H,20,21)
InChIKeyDVDTWRPONSLVBF-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.88
Rot. Bonds4

About 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid

4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid (PubChem CID 81013895) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid
PubChem CID81013895
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc(CC2CC(C)(C)CCC2C(=O)O)cc1
InChIInChI=1S/C19H28O2/c1-13(2)15-7-5-14(6-8-15)11-16-12-19(3,4)10-9-17(16)18(20)21/h5-8,13,16-17H,9-12H2,1-4H3,(H,20,21)
InChIKeyDVDTWRPONSLVBF-UHFFFAOYSA-N
XLogP4.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid (CID 81013895) is 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid is CC(C)c1ccc(CC2CC(C)(C)CCC2C(=O)O)cc1.
What is the InChIKey of 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is DVDTWRPONSLVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-13(2)15-7-5-14(6-8-15)11-16-12-19(3,4)10-9-17(16)18(20)21/h5-8,13,16-17H,9-12H2,1-4H3,(H,20,21).
What are the key properties of 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid?
4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 288.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[(4-propan-2-ylphenyl)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 81013895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).