3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane

C18H38O4 — CID 90195811

IUPAC3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane
SMILESCCC(COC(CC)COC(CC)COC(CC)CC)OC
InChIInChI=1S/C18H38O4/c1-7-15(8-2)20-13-17(10-4)22-14-18(11-5)21-12-16(9-3)19-6/h15-18H,7-14H2,1-6H3
InChIKeyNSMMGJKHOCJENJ-UHFFFAOYSA-N
MW318.50 g/mol
LogP4.21
Rot. Bonds15

About 3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane

3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane (PubChem CID 90195811) has the molecular formula C18H38O4 and a molecular weight of 318.50 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane.

Molecular Properties

Compound Name3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane
PubChem CID90195811
Molecular FormulaC18H38O4
Molecular Weight318.50 g/mol
Exact Mass318.28
IUPAC Name3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane
SMILESCCC(COC(CC)COC(CC)COC(CC)CC)OC
InChIInChI=1S/C18H38O4/c1-7-15(8-2)20-13-17(10-4)22-14-18(11-5)21-12-16(9-3)19-6/h15-18H,7-14H2,1-6H3
InChIKeyNSMMGJKHOCJENJ-UHFFFAOYSA-N
XLogP4.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane?
The IUPAC name of 3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane (CID 90195811) is 3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane.
What is the SMILES notation for 3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane?
The canonical SMILES for 3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane is CCC(COC(CC)COC(CC)COC(CC)CC)OC.
What is the InChIKey of 3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane?
The InChIKey is NSMMGJKHOCJENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O4/c1-7-15(8-2)20-13-17(10-4)22-14-18(11-5)21-12-16(9-3)19-6/h15-18H,7-14H2,1-6H3.
What are the key properties of 3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane?
3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane has a molecular weight of 318.50 g/mol, XLogP of 4.21, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxybutoxy)butoxy]butoxy]pentane is sourced from PubChem (CID 90195811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).