3-ethyl-1,2-dimethoxypentane

C9H20O2 — CID 18398351

IUPAC3-ethyl-1,2-dimethoxypentane
SMILESCCC(CC)C(COC)OC
InChIInChI=1S/C9H20O2/c1-5-8(6-2)9(11-4)7-10-3/h8-9H,5-7H2,1-4H3
InChIKeyYZFPEJZFFRGGIF-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.08
Rot. Bonds6

About 3-ethyl-1,2-dimethoxypentane

3-ethyl-1,2-dimethoxypentane (PubChem CID 18398351) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-ethyl-1,2-dimethoxypentane.

Molecular Properties

Compound Name3-ethyl-1,2-dimethoxypentane
PubChem CID18398351
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-ethyl-1,2-dimethoxypentane
SMILESCCC(CC)C(COC)OC
InChIInChI=1S/C9H20O2/c1-5-8(6-2)9(11-4)7-10-3/h8-9H,5-7H2,1-4H3
InChIKeyYZFPEJZFFRGGIF-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2-dimethoxypentane?
The IUPAC name of 3-ethyl-1,2-dimethoxypentane (CID 18398351) is 3-ethyl-1,2-dimethoxypentane.
What is the SMILES notation for 3-ethyl-1,2-dimethoxypentane?
The canonical SMILES for 3-ethyl-1,2-dimethoxypentane is CCC(CC)C(COC)OC.
What is the InChIKey of 3-ethyl-1,2-dimethoxypentane?
The InChIKey is YZFPEJZFFRGGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-5-8(6-2)9(11-4)7-10-3/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-ethyl-1,2-dimethoxypentane?
3-ethyl-1,2-dimethoxypentane has a molecular weight of 160.26 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-dimethoxypentane is sourced from PubChem (CID 18398351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).