3-propyloxane

C8H16O — CID 19892413

IUPAC3-propyloxane
SMILESCCCC1CCCOC1
InChIInChI=1S/C8H16O/c1-2-4-8-5-3-6-9-7-8/h8H,2-7H2,1H3
InChIKeyRMYJVZSWXBHMQA-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds2

About 3-propyloxane

3-propyloxane (PubChem CID 19892413) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-propyloxane.

Molecular Properties

Compound Name3-propyloxane
PubChem CID19892413
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name3-propyloxane
SMILESCCCC1CCCOC1
InChIInChI=1S/C8H16O/c1-2-4-8-5-3-6-9-7-8/h8H,2-7H2,1H3
InChIKeyRMYJVZSWXBHMQA-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bis(2-ethylhexyl) ether
CID 25010
1,4-Bis(ethoxymethyl)cyclohexane
CID 565573
2H-Pyran, 3-heptyltetrahydro-
CID 68443944
2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
Dihydrocitronellol ethyl ether, (+-)-
CID 90843
Cyclohexane, 1,a1'-a[oxybis(methylene)a]abis-
CID 12084153
Hexane, 1-(hexyloxy)-3-methyl-
CID 537316
Hexane, 1-(hexyloxy)-4-methyl-
CID 545916
Cyclohexane, (4-methoxybutyl)-
CID 93934
(Methoxymethyl)cyclododecane
CID 3018712
(Ethoxymethyl)cyclododecane
CID 3018713
3-(Butoxymethyl)heptane
CID 522064

Frequently Asked Questions

What is the IUPAC name of 3-propyloxane?
The IUPAC name of 3-propyloxane (CID 19892413) is 3-propyloxane.
What is the SMILES notation for 3-propyloxane?
The canonical SMILES for 3-propyloxane is CCCC1CCCOC1.
What is the InChIKey of 3-propyloxane?
The InChIKey is RMYJVZSWXBHMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-2-4-8-5-3-6-9-7-8/h8H,2-7H2,1H3.
What are the key properties of 3-propyloxane?
3-propyloxane has a molecular weight of 128.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyloxane is sourced from PubChem (CID 19892413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).