3-ethyl-1,5-dimethoxypentane

C9H20O2 — CID 15706809

IUPAC3-ethyl-1,5-dimethoxypentane
SMILESCCC(CCOC)CCOC
InChIInChI=1S/C9H20O2/c1-4-9(5-7-10-2)6-8-11-3/h9H,4-8H2,1-3H3
InChIKeyVTDBLHFUJYYXQW-UHFFFAOYSA-N
MW160.26 g/mol
LogP2.09
Rot. Bonds7

About 3-ethyl-1,5-dimethoxypentane

3-ethyl-1,5-dimethoxypentane (PubChem CID 15706809) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-ethyl-1,5-dimethoxypentane.

Molecular Properties

Compound Name3-ethyl-1,5-dimethoxypentane
PubChem CID15706809
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name3-ethyl-1,5-dimethoxypentane
SMILESCCC(CCOC)CCOC
InChIInChI=1S/C9H20O2/c1-4-9(5-7-10-2)6-8-11-3/h9H,4-8H2,1-3H3
InChIKeyVTDBLHFUJYYXQW-UHFFFAOYSA-N
XLogP2.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Di(3-methylpentyl) ether
CID 57311152
5-(2-Methylpropoxy)pentyl hypofluorite
CID 59366597
1-Butoxy-3-methylpentane
CID 88940551
1-Methoxy-3-methylpentane
CID 15706803
1,5-Dimethoxy-3-methylpentane
CID 20571170
3-Ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane
CID 20583777
3-Methyl-1-(2-methylbutoxy)pentane
CID 20793775
1-Methoxy-3-(2-methoxyethyl)-4-methylpentane
CID 20828153
3-(Pentoxymethyl)pentane
CID 22002797
3-Ethyl-1-propoxypentane
CID 22002854
3-Ethyl-1-pentoxypentane
CID 22002905
1-Butoxy-3-ethylpentane
CID 22002927

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5-dimethoxypentane?
The IUPAC name of 3-ethyl-1,5-dimethoxypentane (CID 15706809) is 3-ethyl-1,5-dimethoxypentane.
What is the SMILES notation for 3-ethyl-1,5-dimethoxypentane?
The canonical SMILES for 3-ethyl-1,5-dimethoxypentane is CCC(CCOC)CCOC.
What is the InChIKey of 3-ethyl-1,5-dimethoxypentane?
The InChIKey is VTDBLHFUJYYXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2/c1-4-9(5-7-10-2)6-8-11-3/h9H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-1,5-dimethoxypentane?
3-ethyl-1,5-dimethoxypentane has a molecular weight of 160.26 g/mol, XLogP of 2.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5-dimethoxypentane is sourced from PubChem (CID 15706809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).