4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid

C23H38O4 — CID 143860506

IUPAC4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid
SMILESCCC1(C(O)CCCC2CCCC2)CCC1.CCCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H28O.C8H10O3/c1-2-15(11-6-12-15)14(16)10-5-9-13-7-3-4-8-13;1-2-3-6-4-5-7(11-6)8(9)10/h13-14,16H,2-12H2,1H3;4-5H,2-3H2,1H3,(H,9,10)
InChIKeyUQEGVOSFAZLORH-UHFFFAOYSA-N
MW378.55 g/mol
LogP6.22
Rot. Bonds9

About 4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid

4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid (PubChem CID 143860506) has the molecular formula C23H38O4 and a molecular weight of 378.55 g/mol. Its IUPAC name is 4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid
PubChem CID143860506
Molecular FormulaC23H38O4
Molecular Weight378.55 g/mol
Exact Mass378.28
IUPAC Name4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid
SMILESCCC1(C(O)CCCC2CCCC2)CCC1.CCCc1ccc(C(=O)O)o1
InChIInChI=1S/C15H28O.C8H10O3/c1-2-15(11-6-12-15)14(16)10-5-9-13-7-3-4-8-13;1-2-3-6-4-5-7(11-6)8(9)10/h13-14,16H,2-12H2,1H3;4-5H,2-3H2,1H3,(H,9,10)
InChIKeyUQEGVOSFAZLORH-UHFFFAOYSA-N
XLogP6.22
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.55
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid?
The IUPAC name of 4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid (CID 143860506) is 4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid.
What is the SMILES notation for 4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid?
The canonical SMILES for 4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid is CCC1(C(O)CCCC2CCCC2)CCC1.CCCc1ccc(C(=O)O)o1.
What is the InChIKey of 4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid?
The InChIKey is UQEGVOSFAZLORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O.C8H10O3/c1-2-15(11-6-12-15)14(16)10-5-9-13-7-3-4-8-13;1-2-3-6-4-5-7(11-6)8(9)10/h13-14,16H,2-12H2,1H3;4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid?
4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid has a molecular weight of 378.55 g/mol, XLogP of 6.22, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(1-ethylcyclobutyl)butan-1-ol;5-propylfuran-2-carboxylic acid is sourced from PubChem (CID 143860506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).