5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid

C15H26O5 — CID 23349564

IUPAC5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid
SMILESCC(CCCC1(C)OCC2(CCO)CCC1O2)C(=O)O
InChIInChI=1S/C15H26O5/c1-11(13(17)18)4-3-6-14(2)12-5-7-15(20-12,8-9-16)10-19-14/h11-12,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyWUPPZXNLJBHDFB-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.97
Rot. Bonds7

About 5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid

5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid (PubChem CID 23349564) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid.

Molecular Properties

Compound Name5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid
PubChem CID23349564
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid
SMILESCC(CCCC1(C)OCC2(CCO)CCC1O2)C(=O)O
InChIInChI=1S/C15H26O5/c1-11(13(17)18)4-3-6-14(2)12-5-7-15(20-12,8-9-16)10-19-14/h11-12,16H,3-10H2,1-2H3,(H,17,18)
InChIKeyWUPPZXNLJBHDFB-UHFFFAOYSA-N
XLogP1.97
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid?
The IUPAC name of 5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid (CID 23349564) is 5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid.
What is the SMILES notation for 5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid?
The canonical SMILES for 5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid is CC(CCCC1(C)OCC2(CCO)CCC1O2)C(=O)O.
What is the InChIKey of 5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid?
The InChIKey is WUPPZXNLJBHDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-11(13(17)18)4-3-6-14(2)12-5-7-15(20-12,8-9-16)10-19-14/h11-12,16H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid?
5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2-hydroxyethyl)-2-methyl-3,8-dioxabicyclo[3.2.1]octan-2-yl]-2-methylpentanoic acid is sourced from PubChem (CID 23349564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).