tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane

C31H60Si — CID 140820995

IUPACtri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane
SMILESCC(=CCC#C[Si](C(C)C)(C(C)C)C(C)C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C31H60Si/c1-25(2)17-14-19-30(10)21-16-23-31(11)22-15-20-29(9)18-12-13-24-32(26(3)4,27(5)6)28(7)8/h18,25-28,30-31H,12,14-17,19-23H2,1-11H3
InChIKeyKUBKAGLNRGIQNS-UHFFFAOYSA-N
MW460.91 g/mol
LogP10.98
Rot. Bonds16

About tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane

tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane (PubChem CID 140820995) has the molecular formula C31H60Si and a molecular weight of 460.91 g/mol. Its IUPAC name is tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane.

Molecular Properties

Compound Nametri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane
PubChem CID140820995
Molecular FormulaC31H60Si
Molecular Weight460.91 g/mol
Exact Mass460.45
IUPAC Nametri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane
SMILESCC(=CCC#C[Si](C(C)C)(C(C)C)C(C)C)CCCC(C)CCCC(C)CCCC(C)C
InChIInChI=1S/C31H60Si/c1-25(2)17-14-19-30(10)21-16-23-31(11)22-15-20-29(9)18-12-13-24-32(26(3)4,27(5)6)28(7)8/h18,25-28,30-31H,12,14-17,19-23H2,1-11H3
InChIKeyKUBKAGLNRGIQNS-UHFFFAOYSA-N
XLogP10.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.91
LogP ≤ 510.98
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane?
The IUPAC name of tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane (CID 140820995) is tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane.
What is the SMILES notation for tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane?
The canonical SMILES for tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane is CC(=CCC#C[Si](C(C)C)(C(C)C)C(C)C)CCCC(C)CCCC(C)CCCC(C)C.
What is the InChIKey of tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane?
The InChIKey is KUBKAGLNRGIQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60Si/c1-25(2)17-14-19-30(10)21-16-23-31(11)22-15-20-29(9)18-12-13-24-32(26(3)4,27(5)6)28(7)8/h18,25-28,30-31H,12,14-17,19-23H2,1-11H3.
What are the key properties of tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane?
tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane has a molecular weight of 460.91 g/mol, XLogP of 10.98, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-(5,9,13,17-tetramethyloctadec-4-en-1-ynyl)silane is sourced from PubChem (CID 140820995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).