7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol

C13H22O5 — CID 24828450

IUPAC7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol
SMILESOCC1CCC2(CC1)OOC1(CCCCC1)OO2
InChIInChI=1S/C13H22O5/c14-10-11-4-8-13(9-5-11)17-15-12(16-18-13)6-2-1-3-7-12/h11,14H,1-10H2
InChIKeyYHXFEVUXJBMUJC-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.44
Rot. Bonds1

About 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol

7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol (PubChem CID 24828450) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol.

Molecular Properties

Compound Name7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol
PubChem CID24828450
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol
SMILESOCC1CCC2(CC1)OOC1(CCCCC1)OO2
InChIInChI=1S/C13H22O5/c14-10-11-4-8-13(9-5-11)17-15-12(16-18-13)6-2-1-3-7-12/h11,14H,1-10H2
InChIKeyYHXFEVUXJBMUJC-UHFFFAOYSA-N
XLogP2.44
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol?
The IUPAC name of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol (CID 24828450) is 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol.
What is the SMILES notation for 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol?
The canonical SMILES for 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol is OCC1CCC2(CC1)OOC1(CCCCC1)OO2.
What is the InChIKey of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol?
The InChIKey is YHXFEVUXJBMUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c14-10-11-4-8-13(9-5-11)17-15-12(16-18-13)6-2-1-3-7-12/h11,14H,1-10H2.
What are the key properties of 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol?
7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol has a molecular weight of 258.31 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecan-12-ylmethanol is sourced from PubChem (CID 24828450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).