3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one

C14H24O3 — CID 20608172

IUPAC3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one
SMILESCCC1CC(CC)C(C(O)C2CCOC2=O)C1
InChIInChI=1S/C14H24O3/c1-3-9-7-10(4-2)12(8-9)13(15)11-5-6-17-14(11)16/h9-13,15H,3-8H2,1-2H3
InChIKeyVVCGMBUPEGUYDZ-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.37
Rot. Bonds4

About 3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one

3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one (PubChem CID 20608172) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one.

Molecular Properties

Compound Name3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one
PubChem CID20608172
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one
SMILESCCC1CC(CC)C(C(O)C2CCOC2=O)C1
InChIInChI=1S/C14H24O3/c1-3-9-7-10(4-2)12(8-9)13(15)11-5-6-17-14(11)16/h9-13,15H,3-8H2,1-2H3
InChIKeyVVCGMBUPEGUYDZ-UHFFFAOYSA-N
XLogP2.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one?
The IUPAC name of 3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one (CID 20608172) is 3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one.
What is the SMILES notation for 3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one?
The canonical SMILES for 3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one is CCC1CC(CC)C(C(O)C2CCOC2=O)C1.
What is the InChIKey of 3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one?
The InChIKey is VVCGMBUPEGUYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-9-7-10(4-2)12(8-9)13(15)11-5-6-17-14(11)16/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one?
3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one has a molecular weight of 240.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-diethylcyclopentyl)-hydroxymethyl]oxolan-2-one is sourced from PubChem (CID 20608172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).