cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol

C12H24O3 — CID 70579528

IUPACcyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol
SMILESCC(C)(C)CO.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.C5H12O/c8-7(9)6-4-2-1-3-5-6;1-5(2,3)4-6/h6H,1-5H2,(H,8,9);6H,4H2,1-3H3
InChIKeyGWLTWYUSJSMLEE-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.68
Rot. Bonds1

About cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol

cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol (PubChem CID 70579528) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Namecyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol
PubChem CID70579528
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namecyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol
SMILESCC(C)(C)CO.O=C(O)C1CCCCC1
InChIInChI=1S/C7H12O2.C5H12O/c8-7(9)6-4-2-1-3-5-6;1-5(2,3)4-6/h6H,1-5H2,(H,8,9);6H,4H2,1-3H3
InChIKeyGWLTWYUSJSMLEE-UHFFFAOYSA-N
XLogP2.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol?
The IUPAC name of cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol (CID 70579528) is cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol.
What is the SMILES notation for cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol?
The canonical SMILES for cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol is CC(C)(C)CO.O=C(O)C1CCCCC1.
What is the InChIKey of cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol?
The InChIKey is GWLTWYUSJSMLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C5H12O/c8-7(9)6-4-2-1-3-5-6;1-5(2,3)4-6/h6H,1-5H2,(H,8,9);6H,4H2,1-3H3.
What are the key properties of cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol?
cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarboxylic acid;2,2-dimethylpropan-1-ol is sourced from PubChem (CID 70579528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).