2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol

C13H24O6 — CID 69400838

IUPAC2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol
SMILESCC(CO)C1OCC2(CO1)COC(C(C)CO)OC2
InChIInChI=1S/C13H24O6/c1-9(3-14)11-16-5-13(6-17-11)7-18-12(19-8-13)10(2)4-15/h9-12,14-15H,3-8H2,1-2H3
InChIKeyTXZNWLHNUIBVAI-UHFFFAOYSA-N
MW276.33 g/mol
LogP-0.02
Rot. Bonds4

About 2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol

2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol (PubChem CID 69400838) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol
PubChem CID69400838
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol
SMILESCC(CO)C1OCC2(CO1)COC(C(C)CO)OC2
InChIInChI=1S/C13H24O6/c1-9(3-14)11-16-5-13(6-17-11)7-18-12(19-8-13)10(2)4-15/h9-12,14-15H,3-8H2,1-2H3
InChIKeyTXZNWLHNUIBVAI-UHFFFAOYSA-N
XLogP-0.02
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol?
The IUPAC name of 2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol (CID 69400838) is 2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol.
What is the SMILES notation for 2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol?
The canonical SMILES for 2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol is CC(CO)C1OCC2(CO1)COC(C(C)CO)OC2.
What is the InChIKey of 2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol?
The InChIKey is TXZNWLHNUIBVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-9(3-14)11-16-5-13(6-17-11)7-18-12(19-8-13)10(2)4-15/h9-12,14-15H,3-8H2,1-2H3.
What are the key properties of 2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol?
2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol has a molecular weight of 276.33 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxypropan-2-yl)-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]propan-1-ol is sourced from PubChem (CID 69400838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).