2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol

C15H28O6 — CID 22445106

IUPAC2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)C1CCC2(CO1)COC(C(C)(C)CO)OO2
InChIInChI=1S/C15H28O6/c1-13(2,7-16)11-5-6-15(9-18-11)10-19-12(20-21-15)14(3,4)8-17/h11-12,16-17H,5-10H2,1-4H3
InChIKeyLNFMFNAFRVYVQF-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.25
Rot. Bonds4

About 2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol

2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol (PubChem CID 22445106) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol
PubChem CID22445106
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)C1CCC2(CO1)COC(C(C)(C)CO)OO2
InChIInChI=1S/C15H28O6/c1-13(2,7-16)11-5-6-15(9-18-11)10-19-12(20-21-15)14(3,4)8-17/h11-12,16-17H,5-10H2,1-4H3
InChIKeyLNFMFNAFRVYVQF-UHFFFAOYSA-N
XLogP1.25
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol (CID 22445106) is 2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol is CC(C)(CO)C1CCC2(CO1)COC(C(C)(C)CO)OO2.
What is the InChIKey of 2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol?
The InChIKey is LNFMFNAFRVYVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-13(2,7-16)11-5-6-15(9-18-11)10-19-12(20-21-15)14(3,4)8-17/h11-12,16-17H,5-10H2,1-4H3.
What are the key properties of 2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol?
2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol has a molecular weight of 304.38 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-hydroxy-2-methylpropan-2-yl)-1,2,4,8-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 22445106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).