3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane

C13H28O4Si2 — CID 122210381

IUPAC3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane
SMILESCC1CCC2(CC1)OO[Si](C)(C)CC[Si](C)(C)OO2
InChIInChI=1S/C13H28O4Si2/c1-12-6-8-13(9-7-12)14-16-18(2,3)10-11-19(4,5)17-15-13/h12H,6-11H2,1-5H3
InChIKeyYKNFVHHTBQDSPV-UHFFFAOYSA-N
MW304.53 g/mol
LogP4.21
Rot. Bonds

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

3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane (PubChem CID 122210381) has the molecular formula C13H28O4Si2 and a molecular weight of 304.53 g/mol. Its IUPAC name is 3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane.

Molecular Properties

Compound Name3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane
PubChem CID122210381
Molecular FormulaC13H28O4Si2
Molecular Weight304.53 g/mol
Exact Mass304.15
IUPAC Name3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane
SMILESCC1CCC2(CC1)OO[Si](C)(C)CC[Si](C)(C)OO2
InChIInChI=1S/C13H28O4Si2/c1-12-6-8-13(9-7-12)14-16-18(2,3)10-11-19(4,5)17-15-13/h12H,6-11H2,1-5H3
InChIKeyYKNFVHHTBQDSPV-UHFFFAOYSA-N
XLogP4.21
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.53
LogP ≤ 54.21
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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Related Compounds

3-tert-butyl-9,9,12,12-tetramethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane
CID 122183191
9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 143148723
CID 143649805
CID 143649805
9-methyl-3-phenyl-1,2,4,5-tetraoxaspiro[5.5]undecane
CID 11161025
3,9-dimethylspiro[5.5]undecane
CID 20825106
19-methyl-19-[2-(19-methyl-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosan-19-yl)ethyl]-8,9,17,18,20,21-hexaoxa-19-siladispiro[6.2.610.57]henicosane
CID 122391663
1,4-dimethylcycloheptan-1-amine
CID 65080006
2,3,8-trimethyl-1,4-dioxaspiro[4.4]nonane
CID 20769609
3-methylspiro[5.6]dodecane
CID 143797283
3-ethenyl-9-methyl-1,2,5-trioxaspiro[5.5]undecane
CID 143254368
3,9-dimethylspiro[5.5]undecane;methanamine
CID 176558454
3,11-dimethyldispiro[5.1.58.16]tetradecane
CID 18633626

Frequently Asked Questions

What is the IUPAC name of 3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane?
The IUPAC name of 3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane (CID 122210381) is 3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane.
What is the SMILES notation for 3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane?
The canonical SMILES for 3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane is CC1CCC2(CC1)OO[Si](C)(C)CC[Si](C)(C)OO2.
What is the InChIKey of 3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane?
The InChIKey is YKNFVHHTBQDSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O4Si2/c1-12-6-8-13(9-7-12)14-16-18(2,3)10-11-19(4,5)17-15-13/h12H,6-11H2,1-5H3.
What are the key properties of 3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane?
3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane has a molecular weight of 304.53 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9,9,12,12-pentamethyl-7,8,13,14-tetraoxa-9,12-disilaspiro[5.8]tetradecane is sourced from PubChem (CID 122210381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).