2-[3-(oxan-2-yl)propyl]oxane

C13H24O2 — CID 71182925

IUPAC2-[3-(oxan-2-yl)propyl]oxane
SMILESC1CCC(CCCC2CCCCO2)OC1
InChIInChI=1S/C13H24O2/c1-3-10-14-12(6-1)8-5-9-13-7-2-4-11-15-13/h12-13H,1-11H2
InChIKeyBVOMZTGNTBCROY-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.29
Rot. Bonds4

About 2-[3-(oxan-2-yl)propyl]oxane

2-[3-(oxan-2-yl)propyl]oxane (PubChem CID 71182925) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-[3-(oxan-2-yl)propyl]oxane.

Molecular Properties

Compound Name2-[3-(oxan-2-yl)propyl]oxane
PubChem CID71182925
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-[3-(oxan-2-yl)propyl]oxane
SMILESC1CCC(CCCC2CCCCO2)OC1
InChIInChI=1S/C13H24O2/c1-3-10-14-12(6-1)8-5-9-13-7-2-4-11-15-13/h12-13H,1-11H2
InChIKeyBVOMZTGNTBCROY-UHFFFAOYSA-N
XLogP3.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloropropyl)oxane
CID 23511686
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470
2-[10-(oxan-2-yl)deca-4,6-diynyl]oxane
CID 101132641
2-(3-bromopropyl)oxolane
CID 15783712
5-(oxepan-2-yl)pentanal
CID 57144478
2-[3-(oxolan-2-yl)propyl]cycloheptan-1-amine
CID 65162768
2-(oxan-2-ylmethyl)oxane
CID 67860654
2-(4-ethenoxybutyl)oxane
CID 156762670
2-[3-(oxolan-2-yl)propyl]azepane
CID 65165342
2-(10-ethylsulfanyldecyl)oxane
CID 23326782
2-(14-hexylsulfanyltetradecyl)oxane
CID 23326746
N-[3-(oxan-2-yl)propyl]oxan-4-amine
CID 104627077

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-2-yl)propyl]oxane?
The IUPAC name of 2-[3-(oxan-2-yl)propyl]oxane (CID 71182925) is 2-[3-(oxan-2-yl)propyl]oxane.
What is the SMILES notation for 2-[3-(oxan-2-yl)propyl]oxane?
The canonical SMILES for 2-[3-(oxan-2-yl)propyl]oxane is C1CCC(CCCC2CCCCO2)OC1.
What is the InChIKey of 2-[3-(oxan-2-yl)propyl]oxane?
The InChIKey is BVOMZTGNTBCROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-10-14-12(6-1)8-5-9-13-7-2-4-11-15-13/h12-13H,1-11H2.
What are the key properties of 2-[3-(oxan-2-yl)propyl]oxane?
2-[3-(oxan-2-yl)propyl]oxane has a molecular weight of 212.33 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-2-yl)propyl]oxane is sourced from PubChem (CID 71182925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).