3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid

C18H30O4 — CID 121273660

IUPAC3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid
SMILESCCC(CC(=O)O)C(=O)OC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C18H30O4/c1-2-14(13-16(19)20)17(21)22-18(11-7-4-8-12-18)15-9-5-3-6-10-15/h14-15H,2-13H2,1H3,(H,19,20)
InChIKeyLMWPTPAQKNELNY-UHFFFAOYSA-N
MW310.43 g/mol
LogP4.31
Rot. Bonds6

About 3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid

3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid (PubChem CID 121273660) has the molecular formula C18H30O4 and a molecular weight of 310.43 g/mol. Its IUPAC name is 3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid.

Molecular Properties

Compound Name3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid
PubChem CID121273660
Molecular FormulaC18H30O4
Molecular Weight310.43 g/mol
Exact Mass310.21
IUPAC Name3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid
SMILESCCC(CC(=O)O)C(=O)OC1(C2CCCCC2)CCCCC1
InChIInChI=1S/C18H30O4/c1-2-14(13-16(19)20)17(21)22-18(11-7-4-8-12-18)15-9-5-3-6-10-15/h14-15H,2-13H2,1H3,(H,19,20)
InChIKeyLMWPTPAQKNELNY-UHFFFAOYSA-N
XLogP4.31
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid?
The IUPAC name of 3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid (CID 121273660) is 3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid.
What is the SMILES notation for 3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid?
The canonical SMILES for 3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid is CCC(CC(=O)O)C(=O)OC1(C2CCCCC2)CCCCC1.
What is the InChIKey of 3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid?
The InChIKey is LMWPTPAQKNELNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O4/c1-2-14(13-16(19)20)17(21)22-18(11-7-4-8-12-18)15-9-5-3-6-10-15/h14-15H,2-13H2,1H3,(H,19,20).
What are the key properties of 3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid?
3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid has a molecular weight of 310.43 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylcyclohexyl)oxycarbonylpentanoic acid is sourced from PubChem (CID 121273660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).