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

C13H24O2 — CID 10878487

IUPAC2-[2-(oxolan-2-ylmethyl)butyl]oxolane
SMILESCCC(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H24O2/c1-2-11(9-12-5-3-7-14-12)10-13-6-4-8-15-13/h11-13H,2-10H2,1H3
InChIKeyKHYFPWPUWNVJOT-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.15
Rot. Bonds5

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

2-[2-(oxolan-2-ylmethyl)butyl]oxolane (PubChem CID 10878487) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-[2-(oxolan-2-ylmethyl)butyl]oxolane.

Molecular Properties

Compound Name2-[2-(oxolan-2-ylmethyl)butyl]oxolane
PubChem CID10878487
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-[2-(oxolan-2-ylmethyl)butyl]oxolane
SMILESCCC(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C13H24O2/c1-2-11(9-12-5-3-7-14-12)10-13-6-4-8-15-13/h11-13H,2-10H2,1H3
InChIKeyKHYFPWPUWNVJOT-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-ylmethyl)butyl]oxolane?
The IUPAC name of 2-[2-(oxolan-2-ylmethyl)butyl]oxolane (CID 10878487) is 2-[2-(oxolan-2-ylmethyl)butyl]oxolane.
What is the SMILES notation for 2-[2-(oxolan-2-ylmethyl)butyl]oxolane?
The canonical SMILES for 2-[2-(oxolan-2-ylmethyl)butyl]oxolane is CCC(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 2-[2-(oxolan-2-ylmethyl)butyl]oxolane?
The InChIKey is KHYFPWPUWNVJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-2-11(9-12-5-3-7-14-12)10-13-6-4-8-15-13/h11-13H,2-10H2,1H3.
What are the key properties of 2-[2-(oxolan-2-ylmethyl)butyl]oxolane?
2-[2-(oxolan-2-ylmethyl)butyl]oxolane has a molecular weight of 212.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-ylmethyl)butyl]oxolane is sourced from PubChem (CID 10878487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).