3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane

C16H34O4Si2 — CID 122183191

IUPAC3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane
SMILESCC(C)(C)C1CCC2(CC1)OO[Si](C)(C)CC[Si](C)(C)OO2
InChIInChI=1S/C16H34O4Si2/c1-15(2,3)14-8-10-16(11-9-14)17-19-21(4,5)12-13-22(6,7)20-18-16/h14H,8-13H2,1-7H3
InChIKeyNOUZLRUYHBVHSY-UHFFFAOYSA-N
MW346.62 g/mol
LogP5.24
Rot. Bonds

About 3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane

3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane (PubChem CID 122183191) has the molecular formula C16H34O4Si2 and a molecular weight of 346.62 g/mol. Its IUPAC name is 3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane.

Molecular Properties

Compound Name3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane
PubChem CID122183191
Molecular FormulaC16H34O4Si2
Molecular Weight346.62 g/mol
Exact Mass346.20
IUPAC Name3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane
SMILESCC(C)(C)C1CCC2(CC1)OO[Si](C)(C)CC[Si](C)(C)OO2
InChIInChI=1S/C16H34O4Si2/c1-15(2,3)14-8-10-16(11-9-14)17-19-21(4,5)12-13-22(6,7)20-18-16/h14H,8-13H2,1-7H3
InChIKeyNOUZLRUYHBVHSY-UHFFFAOYSA-N
XLogP5.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.62
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane?
The IUPAC name of 3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane (CID 122183191) is 3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane.
What is the SMILES notation for 3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane?
The canonical SMILES for 3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane is CC(C)(C)C1CCC2(CC1)OO[Si](C)(C)CC[Si](C)(C)OO2.
What is the InChIKey of 3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane?
The InChIKey is NOUZLRUYHBVHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34O4Si2/c1-15(2,3)14-8-10-16(11-9-14)17-19-21(4,5)12-13-22(6,7)20-18-16/h14H,8-13H2,1-7H3.
What are the key properties of 3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane?
3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane has a molecular weight of 346.62 g/mol, XLogP of 5.24, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane is sourced from PubChem (CID 122183191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).