4-methoxy-4-propanoylcyclohexane-1-carboxylic acid

C11H18O4 — CID 118218387

IUPAC4-methoxy-4-propanoylcyclohexane-1-carboxylic acid
SMILESCCC(=O)C1(OC)CCC(C(=O)O)CC1
InChIInChI=1S/C11H18O4/c1-3-9(12)11(15-2)6-4-8(5-7-11)10(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyRVKOJWNFLGUDKO-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.63
Rot. Bonds4

About 4-methoxy-4-propanoylcyclohexane-1-carboxylic acid

4-methoxy-4-propanoylcyclohexane-1-carboxylic acid (PubChem CID 118218387) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-methoxy-4-propanoylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-4-propanoylcyclohexane-1-carboxylic acid
PubChem CID118218387
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name4-methoxy-4-propanoylcyclohexane-1-carboxylic acid
SMILESCCC(=O)C1(OC)CCC(C(=O)O)CC1
InChIInChI=1S/C11H18O4/c1-3-9(12)11(15-2)6-4-8(5-7-11)10(13)14/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyRVKOJWNFLGUDKO-UHFFFAOYSA-N
XLogP1.63
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-propanoylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-methoxy-4-propanoylcyclohexane-1-carboxylic acid (CID 118218387) is 4-methoxy-4-propanoylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methoxy-4-propanoylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methoxy-4-propanoylcyclohexane-1-carboxylic acid is CCC(=O)C1(OC)CCC(C(=O)O)CC1.
What is the InChIKey of 4-methoxy-4-propanoylcyclohexane-1-carboxylic acid?
The InChIKey is RVKOJWNFLGUDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-9(12)11(15-2)6-4-8(5-7-11)10(13)14/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-4-propanoylcyclohexane-1-carboxylic acid?
4-methoxy-4-propanoylcyclohexane-1-carboxylic acid has a molecular weight of 214.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-propanoylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 118218387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).