2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane

C13H24O2 — CID 69048168

IUPAC2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane
SMILESCC1(C(C)(C)C2(C)CCCO2)CCCO1
InChIInChI=1S/C13H24O2/c1-11(2,12(3)7-5-9-14-12)13(4)8-6-10-15-13/h5-10H2,1-4H3
InChIKeyXENBYAHTUQCNAO-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.15
Rot. Bonds2

About 2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane

2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane (PubChem CID 69048168) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane.

Molecular Properties

Compound Name2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane
PubChem CID69048168
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane
SMILESCC1(C(C)(C)C2(C)CCCO2)CCCO1
InChIInChI=1S/C13H24O2/c1-11(2,12(3)7-5-9-14-12)13(4)8-6-10-15-13/h5-10H2,1-4H3
InChIKeyXENBYAHTUQCNAO-UHFFFAOYSA-N
XLogP3.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane?
The IUPAC name of 2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane (CID 69048168) is 2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane.
What is the SMILES notation for 2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane?
The canonical SMILES for 2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane is CC1(C(C)(C)C2(C)CCCO2)CCCO1.
What is the InChIKey of 2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane?
The InChIKey is XENBYAHTUQCNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(2,12(3)7-5-9-14-12)13(4)8-6-10-15-13/h5-10H2,1-4H3.
What are the key properties of 2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane?
2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane has a molecular weight of 212.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methyloxolan-2-yl)propan-2-yl]oxolane is sourced from PubChem (CID 69048168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).