1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane

C22H48O4Si4 — CID 173064120

IUPAC1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCC1=C(CCC)C(C)(CCC)C(C)(CCC)C(C)=C1C.O1[SiH2]O[SiH2]O[SiH2]O[SiH2]1
InChIInChI=1S/C22H40.H8O4Si4/c1-9-13-19-17(5)18(6)21(7,15-11-3)22(8,16-12-4)20(19)14-10-2;1-5-2-7-4-8-3-6-1/h9-16H2,1-8H3;5-8H2
InChIKeyVNERBVRINVOMJL-UHFFFAOYSA-N
MW488.97 g/mol
LogP3.91
Rot. Bonds8

About 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane

1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane (PubChem CID 173064120) has the molecular formula C22H48O4Si4 and a molecular weight of 488.97 g/mol. Its IUPAC name is 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane.

Molecular Properties

Compound Name1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane
PubChem CID173064120
Molecular FormulaC22H48O4Si4
Molecular Weight488.97 g/mol
Exact Mass488.26
IUPAC Name1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane
SMILESCCCC1=C(CCC)C(C)(CCC)C(C)(CCC)C(C)=C1C.O1[SiH2]O[SiH2]O[SiH2]O[SiH2]1
InChIInChI=1S/C22H40.H8O4Si4/c1-9-13-19-17(5)18(6)21(7,15-11-3)22(8,16-12-4)20(19)14-10-2;1-5-2-7-4-8-3-6-1/h9-16H2,1-8H3;5-8H2
InChIKeyVNERBVRINVOMJL-UHFFFAOYSA-N
XLogP3.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.97
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The IUPAC name of 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane (CID 173064120) is 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane.
What is the SMILES notation for 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The canonical SMILES for 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane is CCCC1=C(CCC)C(C)(CCC)C(C)(CCC)C(C)=C1C.O1[SiH2]O[SiH2]O[SiH2]O[SiH2]1.
What is the InChIKey of 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
The InChIKey is VNERBVRINVOMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40.H8O4Si4/c1-9-13-19-17(5)18(6)21(7,15-11-3)22(8,16-12-4)20(19)14-10-2;1-5-2-7-4-8-3-6-1/h9-16H2,1-8H3;5-8H2.
What are the key properties of 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane?
1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane has a molecular weight of 488.97 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetramethyl-3,4,5,6-tetrapropylcyclohexa-1,3-diene;1,3,5,7,2,4,6,8-tetraoxatetrasilocane is sourced from PubChem (CID 173064120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).