1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid

C12H22O4 — CID 103377621

IUPAC1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCCCC1(OCCO)C(=O)O
InChIInChI=1S/C12H22O4/c1-9(2)10-5-3-4-6-12(10,11(14)15)16-8-7-13/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyWQRKJOCNMZXXOD-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.66
Rot. Bonds5

About 1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid

1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid (PubChem CID 103377621) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid
PubChem CID103377621
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid
SMILESCC(C)C1CCCCC1(OCCO)C(=O)O
InChIInChI=1S/C12H22O4/c1-9(2)10-5-3-4-6-12(10,11(14)15)16-8-7-13/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyWQRKJOCNMZXXOD-UHFFFAOYSA-N
XLogP1.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid (CID 103377621) is 1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid is CC(C)C1CCCCC1(OCCO)C(=O)O.
What is the InChIKey of 1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid?
The InChIKey is WQRKJOCNMZXXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-9(2)10-5-3-4-6-12(10,11(14)15)16-8-7-13/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid?
1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid has a molecular weight of 230.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxy)-2-propan-2-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 103377621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).