2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane

C15H28O2 — CID 141368323

IUPAC2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane
SMILESCCC(CC)(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H28O2/c1-3-15(4-2,11-13-7-5-9-16-13)12-14-8-6-10-17-14/h13-14H,3-12H2,1-2H3
InChIKeyOCOKHNYRHXPUID-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.93
Rot. Bonds6

About 2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane

2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane (PubChem CID 141368323) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane.

Molecular Properties

Compound Name2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane
PubChem CID141368323
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane
SMILESCCC(CC)(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C15H28O2/c1-3-15(4-2,11-13-7-5-9-16-13)12-14-8-6-10-17-14/h13-14H,3-12H2,1-2H3
InChIKeyOCOKHNYRHXPUID-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane?
The IUPAC name of 2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane (CID 141368323) is 2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane.
What is the SMILES notation for 2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane?
The canonical SMILES for 2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane is CCC(CC)(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane?
The InChIKey is OCOKHNYRHXPUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-15(4-2,11-13-7-5-9-16-13)12-14-8-6-10-17-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane?
2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane has a molecular weight of 240.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-2-(oxolan-2-ylmethyl)butyl]oxolane is sourced from PubChem (CID 141368323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).