5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid

C19H34O2 — CID 22665106

IUPAC5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
SMILESO=C(O)C(CCCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C19H34O2/c20-19(21)18(15-14-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h16-18H,1-15H2,(H,20,21)
InChIKeyNSUDIUNWEAIXCN-UHFFFAOYSA-N
MW294.48 g/mol
LogP5.80
Rot. Bonds8

About 5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid

5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid (PubChem CID 22665106) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
PubChem CID22665106
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
SMILESO=C(O)C(CCCC1CCCCC1)CCC1CCCCC1
InChIInChI=1S/C19H34O2/c20-19(21)18(15-14-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h16-18H,1-15H2,(H,20,21)
InChIKeyNSUDIUNWEAIXCN-UHFFFAOYSA-N
XLogP5.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid?
The IUPAC name of 5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid (CID 22665106) is 5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid?
The canonical SMILES for 5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid is O=C(O)C(CCCC1CCCCC1)CCC1CCCCC1.
What is the InChIKey of 5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid?
The InChIKey is NSUDIUNWEAIXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c20-19(21)18(15-14-17-10-5-2-6-11-17)13-7-12-16-8-3-1-4-9-16/h16-18H,1-15H2,(H,20,21).
What are the key properties of 5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid?
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid has a molecular weight of 294.48 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid is sourced from PubChem (CID 22665106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).