4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid

C14H24O4 — CID 746937

IUPAC4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid
SMILESCC(C)(C)C1CCC(OC(=O)CCC(=O)O)CC1
InChIInChI=1S/C14H24O4/c1-14(2,3)10-4-6-11(7-5-10)18-13(17)9-8-12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeySZANZXHDEMOGEX-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.00
Rot. Bonds4

About 4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid

4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid (PubChem CID 746937) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid
PubChem CID746937
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid
SMILESCC(C)(C)C1CCC(OC(=O)CCC(=O)O)CC1
InChIInChI=1S/C14H24O4/c1-14(2,3)10-4-6-11(7-5-10)18-13(17)9-8-12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16)
InChIKeySZANZXHDEMOGEX-UHFFFAOYSA-N
XLogP3.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid?
The IUPAC name of 4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid (CID 746937) is 4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid is CC(C)(C)C1CCC(OC(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid?
The InChIKey is SZANZXHDEMOGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-14(2,3)10-4-6-11(7-5-10)18-13(17)9-8-12(15)16/h10-11H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid?
4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid has a molecular weight of 256.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)oxy-4-oxobutanoic acid is sourced from PubChem (CID 746937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).