29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane

C26H50GeO6 — CID 101467838

IUPAC29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane
SMILESC[Ge]1(C)OOC2(CCCCCCCCCCC2)OOC2(CCCCCCCCCCC2)OO1
InChIInChI=1S/C26H50GeO6/c1-27(2)32-30-25(21-17-13-9-5-3-6-10-14-18-22-25)28-29-26(31-33-27)23-19-15-11-7-4-8-12-16-20-24-26/h3-24H2,1-2H3
InChIKeyNTGBSTOUZPZTBN-UHFFFAOYSA-N
MW531.29 g/mol
LogP8.55
Rot. Bonds

About 29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane

29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane (PubChem CID 101467838) has the molecular formula C26H50GeO6 and a molecular weight of 531.29 g/mol. Its IUPAC name is 29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane.

Molecular Properties

Compound Name29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane
PubChem CID101467838
Molecular FormulaC26H50GeO6
Molecular Weight531.29 g/mol
Exact Mass532.28
IUPAC Name29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane
SMILESC[Ge]1(C)OOC2(CCCCCCCCCCC2)OOC2(CCCCCCCCCCC2)OO1
InChIInChI=1S/C26H50GeO6/c1-27(2)32-30-25(21-17-13-9-5-3-6-10-14-18-22-25)28-29-26(31-33-27)23-19-15-11-7-4-8-12-16-20-24-26/h3-24H2,1-2H3
InChIKeyNTGBSTOUZPZTBN-UHFFFAOYSA-N
XLogP8.55
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.29
LogP ≤ 58.55
H-Bond Donors ≤ 50
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 29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane?
The IUPAC name of 29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane (CID 101467838) is 29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane.
What is the SMILES notation for 29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane?
The canonical SMILES for 29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane is C[Ge]1(C)OOC2(CCCCCCCCCCC2)OOC2(CCCCCCCCCCC2)OO1.
What is the InChIKey of 29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane?
The InChIKey is NTGBSTOUZPZTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50GeO6/c1-27(2)32-30-25(21-17-13-9-5-3-6-10-14-18-22-25)28-29-26(31-33-27)23-19-15-11-7-4-8-12-16-20-24-26/h3-24H2,1-2H3.
What are the key properties of 29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane?
29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane has a molecular weight of 531.29 g/mol, XLogP of 8.55, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 29,29-dimethyl-13,14,27,28,30,31-hexaoxa-29-germadispiro[11.2.1115.512]hentriacontane is sourced from PubChem (CID 101467838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).