2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid

C14H24O3 — CID 66037176

IUPAC2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid
SMILESCC(C)=C1CCC(C)CC1(O)C(C)(C)C(=O)O
InChIInChI=1S/C14H24O3/c1-9(2)11-7-6-10(3)8-14(11,17)13(4,5)12(15)16/h10,17H,6-8H2,1-5H3,(H,15,16)
InChIKeyYAJCBWVSXBEDBV-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.98
Rot. Bonds2

About 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid

2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid (PubChem CID 66037176) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid
PubChem CID66037176
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid
SMILESCC(C)=C1CCC(C)CC1(O)C(C)(C)C(=O)O
InChIInChI=1S/C14H24O3/c1-9(2)11-7-6-10(3)8-14(11,17)13(4,5)12(15)16/h10,17H,6-8H2,1-5H3,(H,15,16)
InChIKeyYAJCBWVSXBEDBV-UHFFFAOYSA-N
XLogP2.98
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid?
The IUPAC name of 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid (CID 66037176) is 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid is CC(C)=C1CCC(C)CC1(O)C(C)(C)C(=O)O.
What is the InChIKey of 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid?
The InChIKey is YAJCBWVSXBEDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-9(2)11-7-6-10(3)8-14(11,17)13(4,5)12(15)16/h10,17H,6-8H2,1-5H3,(H,15,16).
What are the key properties of 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid?
2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid has a molecular weight of 240.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)-2-methylpropanoic acid is sourced from PubChem (CID 66037176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).