3-(oxan-2-yl)-2-propan-2-yloxane

C13H24O2 — CID 59163186

IUPAC3-(oxan-2-yl)-2-propan-2-yloxane
SMILESCC(C)C1OCCCC1C1CCCCO1
InChIInChI=1S/C13H24O2/c1-10(2)13-11(6-5-9-15-13)12-7-3-4-8-14-12/h10-13H,3-9H2,1-2H3
InChIKeyAXMBRSKZYSLIDC-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.01
Rot. Bonds2

About 3-(oxan-2-yl)-2-propan-2-yloxane

3-(oxan-2-yl)-2-propan-2-yloxane (PubChem CID 59163186) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-(oxan-2-yl)-2-propan-2-yloxane.

Molecular Properties

Compound Name3-(oxan-2-yl)-2-propan-2-yloxane
PubChem CID59163186
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-(oxan-2-yl)-2-propan-2-yloxane
SMILESCC(C)C1OCCCC1C1CCCCO1
InChIInChI=1S/C13H24O2/c1-10(2)13-11(6-5-9-15-13)12-7-3-4-8-14-12/h10-13H,3-9H2,1-2H3
InChIKeyAXMBRSKZYSLIDC-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)-2-propan-2-yloxane?
The IUPAC name of 3-(oxan-2-yl)-2-propan-2-yloxane (CID 59163186) is 3-(oxan-2-yl)-2-propan-2-yloxane.
What is the SMILES notation for 3-(oxan-2-yl)-2-propan-2-yloxane?
The canonical SMILES for 3-(oxan-2-yl)-2-propan-2-yloxane is CC(C)C1OCCCC1C1CCCCO1.
What is the InChIKey of 3-(oxan-2-yl)-2-propan-2-yloxane?
The InChIKey is AXMBRSKZYSLIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)13-11(6-5-9-15-13)12-7-3-4-8-14-12/h10-13H,3-9H2,1-2H3.
What are the key properties of 3-(oxan-2-yl)-2-propan-2-yloxane?
3-(oxan-2-yl)-2-propan-2-yloxane has a molecular weight of 212.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)-2-propan-2-yloxane is sourced from PubChem (CID 59163186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).