2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol

C19H36O6 — CID 141401236

IUPAC2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol
SMILESCCC(CC)(CO)C1(C(CC)(CC)CO)OCC2(COCOC2)CO1
InChIInChI=1S/C19H36O6/c1-5-17(6-2,9-20)19(18(7-3,8-4)10-21)24-13-16(14-25-19)11-22-15-23-12-16/h20-21H,5-15H2,1-4H3
InChIKeyZYZGFQYHKDXRPI-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.32
Rot. Bonds8

About 2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol

2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol (PubChem CID 141401236) has the molecular formula C19H36O6 and a molecular weight of 360.49 g/mol. Its IUPAC name is 2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol
PubChem CID141401236
Molecular FormulaC19H36O6
Molecular Weight360.49 g/mol
Exact Mass360.25
IUPAC Name2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol
SMILESCCC(CC)(CO)C1(C(CC)(CC)CO)OCC2(COCOC2)CO1
InChIInChI=1S/C19H36O6/c1-5-17(6-2,9-20)19(18(7-3,8-4)10-21)24-13-16(14-25-19)11-22-15-23-12-16/h20-21H,5-15H2,1-4H3
InChIKeyZYZGFQYHKDXRPI-UHFFFAOYSA-N
XLogP2.32
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol (CID 141401236) is 2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol is CCC(CC)(CO)C1(C(CC)(CC)CO)OCC2(COCOC2)CO1.
What is the InChIKey of 2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol?
The InChIKey is ZYZGFQYHKDXRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O6/c1-5-17(6-2,9-20)19(18(7-3,8-4)10-21)24-13-16(14-25-19)11-22-15-23-12-16/h20-21H,5-15H2,1-4H3.
What are the key properties of 2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol?
2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol has a molecular weight of 360.49 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[3-[3-(hydroxymethyl)pentan-3-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]butan-1-ol is sourced from PubChem (CID 141401236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).