14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane

C15H27BO3 — CID 163554439

IUPAC14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane
SMILESCC(C)(C)B1OC2(CCCCC2)C2(CCOCC2)O1
InChIInChI=1S/C15H27BO3/c1-13(2,3)16-18-14(7-5-4-6-8-14)15(19-16)9-11-17-12-10-15/h4-12H2,1-3H3
InChIKeyNCPAHELDHXQMSN-UHFFFAOYSA-N
MW266.19 g/mol
LogP3.57
Rot. Bonds

About 14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane

14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane (PubChem CID 163554439) has the molecular formula C15H27BO3 and a molecular weight of 266.19 g/mol. Its IUPAC name is 14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane.

Molecular Properties

Compound Name14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane
PubChem CID163554439
Molecular FormulaC15H27BO3
Molecular Weight266.19 g/mol
Exact Mass266.21
IUPAC Name14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane
SMILESCC(C)(C)B1OC2(CCCCC2)C2(CCOCC2)O1
InChIInChI=1S/C15H27BO3/c1-13(2,3)16-18-14(7-5-4-6-8-14)15(19-16)9-11-17-12-10-15/h4-12H2,1-3H3
InChIKeyNCPAHELDHXQMSN-UHFFFAOYSA-N
XLogP3.57
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane?
The IUPAC name of 14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane (CID 163554439) is 14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane.
What is the SMILES notation for 14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane?
The canonical SMILES for 14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane is CC(C)(C)B1OC2(CCCCC2)C2(CCOCC2)O1.
What is the InChIKey of 14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane?
The InChIKey is NCPAHELDHXQMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27BO3/c1-13(2,3)16-18-14(7-5-4-6-8-14)15(19-16)9-11-17-12-10-15/h4-12H2,1-3H3.
What are the key properties of 14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane?
14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane has a molecular weight of 266.19 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-tert-butyl-10,13,15-trioxa-14-boradispiro[5.0.57.36]pentadecane is sourced from PubChem (CID 163554439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).