3-(ethoxymethyl)pentane

C8H18O — CID 20642805

IUPAC3-(ethoxymethyl)pentane
SMILESCCOCC(CC)CC
InChIInChI=1S/C8H18O/c1-4-8(5-2)7-9-6-3/h8H,4-7H2,1-3H3
InChIKeyDLCGKYWLUYXRNM-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.46
Rot. Bonds5

About 3-(ethoxymethyl)pentane

3-(ethoxymethyl)pentane (PubChem CID 20642805) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 3-(ethoxymethyl)pentane.

Molecular Properties

Compound Name3-(ethoxymethyl)pentane
PubChem CID20642805
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name3-(ethoxymethyl)pentane
SMILESCCOCC(CC)CC
InChIInChI=1S/C8H18O/c1-4-8(5-2)7-9-6-3/h8H,4-7H2,1-3H3
InChIKeyDLCGKYWLUYXRNM-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)pentane?
The IUPAC name of 3-(ethoxymethyl)pentane (CID 20642805) is 3-(ethoxymethyl)pentane.
What is the SMILES notation for 3-(ethoxymethyl)pentane?
The canonical SMILES for 3-(ethoxymethyl)pentane is CCOCC(CC)CC.
What is the InChIKey of 3-(ethoxymethyl)pentane?
The InChIKey is DLCGKYWLUYXRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-4-8(5-2)7-9-6-3/h8H,4-7H2,1-3H3.
What are the key properties of 3-(ethoxymethyl)pentane?
3-(ethoxymethyl)pentane has a molecular weight of 130.23 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)pentane is sourced from PubChem (CID 20642805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).