3-ethyl-3-methoxypentane

C8H18O — CID 20783201

IUPAC3-ethyl-3-methoxypentane
SMILESCCC(CC)(CC)OC
InChIInChI=1S/C8H18O/c1-5-8(6-2,7-3)9-4/h5-7H2,1-4H3
InChIKeyLOBJLZDLSQWPSU-UHFFFAOYSA-N
MW130.23 g/mol
LogP2.60
Rot. Bonds4

About 3-ethyl-3-methoxypentane

3-ethyl-3-methoxypentane (PubChem CID 20783201) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is 3-ethyl-3-methoxypentane.

Molecular Properties

Compound Name3-ethyl-3-methoxypentane
PubChem CID20783201
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name3-ethyl-3-methoxypentane
SMILESCCC(CC)(CC)OC
InChIInChI=1S/C8H18O/c1-5-8(6-2,7-3)9-4/h5-7H2,1-4H3
InChIKeyLOBJLZDLSQWPSU-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxypentane?
The IUPAC name of 3-ethyl-3-methoxypentane (CID 20783201) is 3-ethyl-3-methoxypentane.
What is the SMILES notation for 3-ethyl-3-methoxypentane?
The canonical SMILES for 3-ethyl-3-methoxypentane is CCC(CC)(CC)OC.
What is the InChIKey of 3-ethyl-3-methoxypentane?
The InChIKey is LOBJLZDLSQWPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O/c1-5-8(6-2,7-3)9-4/h5-7H2,1-4H3.
What are the key properties of 3-ethyl-3-methoxypentane?
3-ethyl-3-methoxypentane has a molecular weight of 130.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxypentane is sourced from PubChem (CID 20783201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).