1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane

C9H12O6 — CID 155682588

IUPAC1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane
SMILESC1CCCC2(OO2)C2(OO2)C2(CC1)OO2
InChIInChI=1S/C9H12O6/c1-2-4-6-8(12-13-8)9(14-15-9)7(5-3-1)10-11-7/h1-6H2
InChIKeyAHHCNFCASJMBCJ-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.31
Rot. Bonds

About 1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane

1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane (PubChem CID 155682588) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is 1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane.

Molecular Properties

Compound Name1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane
PubChem CID155682588
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane
SMILESC1CCCC2(OO2)C2(OO2)C2(CC1)OO2
InChIInChI=1S/C9H12O6/c1-2-4-6-8(12-13-8)9(14-15-9)7(5-3-1)10-11-7/h1-6H2
InChIKeyAHHCNFCASJMBCJ-UHFFFAOYSA-N
XLogP1.31
TPSA75.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane?
The IUPAC name of 1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane (CID 155682588) is 1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane.
What is the SMILES notation for 1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane?
The canonical SMILES for 1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane is C1CCCC2(OO2)C2(OO2)C2(CC1)OO2.
What is the InChIKey of 1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane?
The InChIKey is AHHCNFCASJMBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O6/c1-2-4-6-8(12-13-8)9(14-15-9)7(5-3-1)10-11-7/h1-6H2.
What are the key properties of 1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane?
1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane has a molecular weight of 216.19 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6,8,9-hexaoxatrispiro[2.0.24.0.27.63]pentadecane is sourced from PubChem (CID 155682588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).