3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane

C17H36O4 — CID 58460597

IUPAC3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane
SMILESCCC(C)(CCOC)COCC(CC)(CCOC)COC
InChIInChI=1S/C17H36O4/c1-7-16(3,9-11-18-4)13-21-15-17(8-2,14-20-6)10-12-19-5/h7-15H2,1-6H3
InChIKeyFQUWFFJLAJROSR-UHFFFAOYSA-N
MW304.47 g/mol
LogP3.54
Rot. Bonds14

About 3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane

3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane (PubChem CID 58460597) has the molecular formula C17H36O4 and a molecular weight of 304.47 g/mol. Its IUPAC name is 3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane.

Molecular Properties

Compound Name3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane
PubChem CID58460597
Molecular FormulaC17H36O4
Molecular Weight304.47 g/mol
Exact Mass304.26
IUPAC Name3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane
SMILESCCC(C)(CCOC)COCC(CC)(CCOC)COC
InChIInChI=1S/C17H36O4/c1-7-16(3,9-11-18-4)13-21-15-17(8-2,14-20-6)10-12-19-5/h7-15H2,1-6H3
InChIKeyFQUWFFJLAJROSR-UHFFFAOYSA-N
XLogP3.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane?
The IUPAC name of 3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane (CID 58460597) is 3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane.
What is the SMILES notation for 3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane?
The canonical SMILES for 3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane is CCC(C)(CCOC)COCC(CC)(CCOC)COC.
What is the InChIKey of 3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane?
The InChIKey is FQUWFFJLAJROSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O4/c1-7-16(3,9-11-18-4)13-21-15-17(8-2,14-20-6)10-12-19-5/h7-15H2,1-6H3.
What are the key properties of 3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane?
3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane has a molecular weight of 304.47 g/mol, XLogP of 3.54, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-4-methoxy-2-methylbutoxy)methyl]-1-methoxy-3-(methoxymethyl)pentane is sourced from PubChem (CID 58460597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).