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

C12H20O3 — CID 66036922

IUPAC2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid
SMILESCC(C)=C1CCC(C)CC1(O)CC(=O)O
InChIInChI=1S/C12H20O3/c1-8(2)10-5-4-9(3)6-12(10,15)7-11(13)14/h9,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyPEJNNBXBMPVRPA-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.35
Rot. Bonds2

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

2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid (PubChem CID 66036922) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid
PubChem CID66036922
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid
SMILESCC(C)=C1CCC(C)CC1(O)CC(=O)O
InChIInChI=1S/C12H20O3/c1-8(2)10-5-4-9(3)6-12(10,15)7-11(13)14/h9,15H,4-7H2,1-3H3,(H,13,14)
InChIKeyPEJNNBXBMPVRPA-UHFFFAOYSA-N
XLogP2.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.35
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)acetic acid?
The IUPAC name of 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid (CID 66036922) is 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid.
What is the SMILES notation for 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid?
The canonical SMILES for 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid is CC(C)=C1CCC(C)CC1(O)CC(=O)O.
What is the InChIKey of 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid?
The InChIKey is PEJNNBXBMPVRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-8(2)10-5-4-9(3)6-12(10,15)7-11(13)14/h9,15H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid?
2-(1-hydroxy-5-methyl-2-propan-2-ylidenecyclohexyl)acetic acid has a molecular weight of 212.29 g/mol, XLogP of 2.35, 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)acetic acid is sourced from PubChem (CID 66036922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).