3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane

C11H24O3 — CID 20583777

IUPAC3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane
SMILESCCC(CCOC)(CCOC)COC
InChIInChI=1S/C11H24O3/c1-5-11(10-14-4,6-8-12-2)7-9-13-3/h5-10H2,1-4H3
InChIKeyQMIBJTNMLRQAPB-UHFFFAOYSA-N
MW204.31 g/mol
LogP2.10
Rot. Bonds9

About 3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane

3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane (PubChem CID 20583777) has the molecular formula C11H24O3 and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane.

Molecular Properties

Compound Name3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane
PubChem CID20583777
Molecular FormulaC11H24O3
Molecular Weight204.31 g/mol
Exact Mass204.17
IUPAC Name3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane
SMILESCCC(CCOC)(CCOC)COC
InChIInChI=1S/C11H24O3/c1-5-11(10-14-4,6-8-12-2)7-9-13-3/h5-10H2,1-4H3
InChIKeyQMIBJTNMLRQAPB-UHFFFAOYSA-N
XLogP2.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane?
The IUPAC name of 3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane (CID 20583777) is 3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane.
What is the SMILES notation for 3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane?
The canonical SMILES for 3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane is CCC(CCOC)(CCOC)COC.
What is the InChIKey of 3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane?
The InChIKey is QMIBJTNMLRQAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3/c1-5-11(10-14-4,6-8-12-2)7-9-13-3/h5-10H2,1-4H3.
What are the key properties of 3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane?
3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane has a molecular weight of 204.31 g/mol, XLogP of 2.10, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5-dimethoxy-3-(methoxymethyl)pentane is sourced from PubChem (CID 20583777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).