10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane

C28H58OSi2 — CID 67980673

IUPAC10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane
SMILESCCC1(CC)CCCCCCCCC[Si]12CCCCCCCCCC[Si](CC)(CC)O2
InChIInChI=1S/C28H58OSi2/c1-5-28(6-2)24-20-16-12-11-15-19-23-27-31(28)26-22-18-14-10-9-13-17-21-25-30(7-3,8-4)29-31/h5-27H2,1-4H3
InChIKeyQJYBYTAGLWYGBB-UHFFFAOYSA-N
MW466.94 g/mol
LogP10.76
Rot. Bonds4

About 10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane

10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane (PubChem CID 67980673) has the molecular formula C28H58OSi2 and a molecular weight of 466.94 g/mol. Its IUPAC name is 10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane.

Molecular Properties

Compound Name10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane
PubChem CID67980673
Molecular FormulaC28H58OSi2
Molecular Weight466.94 g/mol
Exact Mass466.40
IUPAC Name10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane
SMILESCCC1(CC)CCCCCCCCC[Si]12CCCCCCCCCC[Si](CC)(CC)O2
InChIInChI=1S/C28H58OSi2/c1-5-28(6-2)24-20-16-12-11-15-19-23-27-31(28)26-22-18-14-10-9-13-17-21-25-30(7-3,8-4)29-31/h5-27H2,1-4H3
InChIKeyQJYBYTAGLWYGBB-UHFFFAOYSA-N
XLogP10.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.94
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane?
The IUPAC name of 10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane (CID 67980673) is 10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane.
What is the SMILES notation for 10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane?
The canonical SMILES for 10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane is CCC1(CC)CCCCCCCCC[Si]12CCCCCCCCCC[Si](CC)(CC)O2.
What is the InChIKey of 10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane?
The InChIKey is QJYBYTAGLWYGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H58OSi2/c1-5-28(6-2)24-20-16-12-11-15-19-23-27-31(28)26-22-18-14-10-9-13-17-21-25-30(7-3,8-4)29-31/h5-27H2,1-4H3.
What are the key properties of 10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane?
10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane has a molecular weight of 466.94 g/mol, XLogP of 10.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10,13,13-tetraethyl-12-oxa-11,13-disilaspiro[10.12]tricosane is sourced from PubChem (CID 67980673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).