2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane

C22H46O5 — CID 167028239

IUPAC2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane
SMILESCCC(C)OC(C)C(CC)OCC(COC(CC)C(C)OC(C)CC)OC
InChIInChI=1S/C22H46O5/c1-10-16(5)26-18(7)21(12-3)24-14-20(23-9)15-25-22(13-4)19(8)27-17(6)11-2/h16-22H,10-15H2,1-9H3
InChIKeySDSMGNHMXUKSEJ-UHFFFAOYSA-N
MW390.61 g/mol
LogP5.00
Rot. Bonds17

About 2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane

2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane (PubChem CID 167028239) has the molecular formula C22H46O5 and a molecular weight of 390.61 g/mol. Its IUPAC name is 2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane.

Molecular Properties

Compound Name2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane
PubChem CID167028239
Molecular FormulaC22H46O5
Molecular Weight390.61 g/mol
Exact Mass390.33
IUPAC Name2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane
SMILESCCC(C)OC(C)C(CC)OCC(COC(CC)C(C)OC(C)CC)OC
InChIInChI=1S/C22H46O5/c1-10-16(5)26-18(7)21(12-3)24-14-20(23-9)15-25-22(13-4)19(8)27-17(6)11-2/h16-22H,10-15H2,1-9H3
InChIKeySDSMGNHMXUKSEJ-UHFFFAOYSA-N
XLogP5.00
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane?
The IUPAC name of 2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane (CID 167028239) is 2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane.
What is the SMILES notation for 2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane?
The canonical SMILES for 2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane is CCC(C)OC(C)C(CC)OCC(COC(CC)C(C)OC(C)CC)OC.
What is the InChIKey of 2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane?
The InChIKey is SDSMGNHMXUKSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O5/c1-10-16(5)26-18(7)21(12-3)24-14-20(23-9)15-25-22(13-4)19(8)27-17(6)11-2/h16-22H,10-15H2,1-9H3.
What are the key properties of 2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane?
2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane has a molecular weight of 390.61 g/mol, XLogP of 5.00, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-3-[3-(2-butan-2-yloxypentan-3-yloxy)-2-methoxypropoxy]pentane is sourced from PubChem (CID 167028239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).