3-(2-ethylbutoxymethyl)pentane

C12H26O — CID 524831

IUPAC3-(2-ethylbutoxymethyl)pentane
SMILESCCC(CC)COCC(CC)CC
InChIInChI=1S/C12H26O/c1-5-11(6-2)9-13-10-12(7-3)8-4/h11-12H,5-10H2,1-4H3
InChIKeyYJBYJBXZLXFOCG-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.88
Rot. Bonds8

About 3-(2-ethylbutoxymethyl)pentane

3-(2-ethylbutoxymethyl)pentane (PubChem CID 524831) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-(2-ethylbutoxymethyl)pentane.

Molecular Properties

Compound Name3-(2-ethylbutoxymethyl)pentane
PubChem CID524831
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name3-(2-ethylbutoxymethyl)pentane
SMILESCCC(CC)COCC(CC)CC
InChIInChI=1S/C12H26O/c1-5-11(6-2)9-13-10-12(7-3)8-4/h11-12H,5-10H2,1-4H3
InChIKeyYJBYJBXZLXFOCG-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutoxymethyl)pentane?
The IUPAC name of 3-(2-ethylbutoxymethyl)pentane (CID 524831) is 3-(2-ethylbutoxymethyl)pentane.
What is the SMILES notation for 3-(2-ethylbutoxymethyl)pentane?
The canonical SMILES for 3-(2-ethylbutoxymethyl)pentane is CCC(CC)COCC(CC)CC.
What is the InChIKey of 3-(2-ethylbutoxymethyl)pentane?
The InChIKey is YJBYJBXZLXFOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O/c1-5-11(6-2)9-13-10-12(7-3)8-4/h11-12H,5-10H2,1-4H3.
What are the key properties of 3-(2-ethylbutoxymethyl)pentane?
3-(2-ethylbutoxymethyl)pentane has a molecular weight of 186.34 g/mol, XLogP of 3.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutoxymethyl)pentane is sourced from PubChem (CID 524831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).