2,5-dipropyloxane

C11H22O — CID 118909754

IUPAC2,5-dipropyloxane
SMILESCCCC1CCC(CCC)OC1
InChIInChI=1S/C11H22O/c1-3-5-10-7-8-11(6-4-2)12-9-10/h10-11H,3-9H2,1-2H3
InChIKeyLEYVGGINQYNIAR-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.38
Rot. Bonds4

About 2,5-dipropyloxane

2,5-dipropyloxane (PubChem CID 118909754) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 2,5-dipropyloxane.

Molecular Properties

Compound Name2,5-dipropyloxane
PubChem CID118909754
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name2,5-dipropyloxane
SMILESCCCC1CCC(CCC)OC1
InChIInChI=1S/C11H22O/c1-3-5-10-7-8-11(6-4-2)12-9-10/h10-11H,3-9H2,1-2H3
InChIKeyLEYVGGINQYNIAR-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[2-[5-(4-propylcyclohexyl)oxan-2-yl]ethyl]cyclohexyl]methanol
CID 70829322
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-5-pentyloxane
CID 58620696
CID 175475934
CID 175475934
2-[4-[2,3-difluoro-4-[2-(5-propyloxan-2-yl)ethyl]phenyl]-2,3-difluorophenyl]-5-propyloxane
CID 58535615
(4-propyloxolan-2-yl)methanol
CID 130129945
[(4S)-4-propyloxolan-2-yl]methanol
CID 145357706
5-(4-methoxycyclohexyl)-2-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620448
1,4-dipropylcyclohexane;pentane
CID 90867354
5-methyl-2-[2-(5-methyloxan-2-yl)ethyl]oxane
CID 123400245
2,5-dipropyl-1,3-dioxane
CID 21043213
2-ethyl-5-[2-(oxan-3-yl)ethyl]oxane
CID 153020675
N,N-dimethyl-5-propyloxane-2-carboxamide
CID 146200732

Frequently Asked Questions

What is the IUPAC name of 2,5-dipropyloxane?
The IUPAC name of 2,5-dipropyloxane (CID 118909754) is 2,5-dipropyloxane.
What is the SMILES notation for 2,5-dipropyloxane?
The canonical SMILES for 2,5-dipropyloxane is CCCC1CCC(CCC)OC1.
What is the InChIKey of 2,5-dipropyloxane?
The InChIKey is LEYVGGINQYNIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-3-5-10-7-8-11(6-4-2)12-9-10/h10-11H,3-9H2,1-2H3.
What are the key properties of 2,5-dipropyloxane?
2,5-dipropyloxane has a molecular weight of 170.30 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dipropyloxane is sourced from PubChem (CID 118909754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).