tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane

C40H76Si — CID 139086613

IUPACtetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane
SMILESC/C(CC(C)(C)C)=C(/C)C[Si](C/C(C)=C(\C)CC(C)(C)C)(C/C(C)=C(\C)CC(C)(C)C)C/C(C)=C(\C)CC(C)(C)C
InChIInChI=1S/C40H76Si/c1-29(21-37(9,10)11)33(5)25-41(26-34(6)30(2)22-38(12,13)14,27-35(7)31(3)23-39(15,16)17)28-36(8)32(4)24-40(18,19)20/h21-28H2,1-20H3/b33-29+,34-30+,35-31+,36-32+
InChIKeyZPRNOFHKUMLQHD-MCTOCYMBSA-N
MW585.13 g/mol
LogP14.53
Rot. Bonds12

About tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane

tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane (PubChem CID 139086613) has the molecular formula C40H76Si and a molecular weight of 585.13 g/mol. Its IUPAC name is tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane.

Molecular Properties

Compound Nametetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane
PubChem CID139086613
Molecular FormulaC40H76Si
Molecular Weight585.13 g/mol
Exact Mass584.57
IUPAC Nametetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane
SMILESC/C(CC(C)(C)C)=C(/C)C[Si](C/C(C)=C(\C)CC(C)(C)C)(C/C(C)=C(\C)CC(C)(C)C)C/C(C)=C(\C)CC(C)(C)C
InChIInChI=1S/C40H76Si/c1-29(21-37(9,10)11)33(5)25-41(26-34(6)30(2)22-38(12,13)14,27-35(7)31(3)23-39(15,16)17)28-36(8)32(4)24-40(18,19)20/h21-28H2,1-20H3/b33-29+,34-30+,35-31+,36-32+
InChIKeyZPRNOFHKUMLQHD-MCTOCYMBSA-N
XLogP14.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.13
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane?
The IUPAC name of tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane (CID 139086613) is tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane.
What is the SMILES notation for tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane?
The canonical SMILES for tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane is C/C(CC(C)(C)C)=C(/C)C[Si](C/C(C)=C(\C)CC(C)(C)C)(C/C(C)=C(\C)CC(C)(C)C)C/C(C)=C(\C)CC(C)(C)C.
What is the InChIKey of tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane?
The InChIKey is ZPRNOFHKUMLQHD-MCTOCYMBSA-N. The full InChI is InChI=1S/C40H76Si/c1-29(21-37(9,10)11)33(5)25-41(26-34(6)30(2)22-38(12,13)14,27-35(7)31(3)23-39(15,16)17)28-36(8)32(4)24-40(18,19)20/h21-28H2,1-20H3/b33-29+,34-30+,35-31+,36-32+.
What are the key properties of tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane?
tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane has a molecular weight of 585.13 g/mol, XLogP of 14.53, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis[(E)-2,3,5,5-tetramethylhex-2-enyl]silane is sourced from PubChem (CID 139086613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).