[3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane

C36H63ClSi3 — CID 15258551

IUPAC[3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC#CC(=C=C(Cl)[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C36H63ClSi3/c1-26(2)38(27(3)4,28(5)6)23-20-19-21-35(22-24-39(29(7)8,30(9)10)31(11)12)25-36(37)40(32(13)14,33(15)16)34(17)18/h26-34H,1-18H3
InChIKeyLKJBMVPEPHRNLI-UHFFFAOYSA-N
MW615.61 g/mol
LogP12.30
Rot. Bonds10

About [3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane

[3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane (PubChem CID 15258551) has the molecular formula C36H63ClSi3 and a molecular weight of 615.61 g/mol. Its IUPAC name is [3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane
PubChem CID15258551
Molecular FormulaC36H63ClSi3
Molecular Weight615.61 g/mol
Exact Mass614.39
IUPAC Name[3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC#CC(=C=C(Cl)[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C36H63ClSi3/c1-26(2)38(27(3)4,28(5)6)23-20-19-21-35(22-24-39(29(7)8,30(9)10)31(11)12)25-36(37)40(32(13)14,33(15)16)34(17)18/h26-34H,1-18H3
InChIKeyLKJBMVPEPHRNLI-UHFFFAOYSA-N
XLogP12.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.61
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane (CID 15258551) is [3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane is CC(C)[Si](C#CC#CC(=C=C(Cl)[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of [3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane?
The InChIKey is LKJBMVPEPHRNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H63ClSi3/c1-26(2)38(27(3)4,28(5)6)23-20-19-21-35(22-24-39(29(7)8,30(9)10)31(11)12)25-36(37)40(32(13)14,33(15)16)34(17)18/h26-34H,1-18H3.
What are the key properties of [3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane?
[3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane has a molecular weight of 615.61 g/mol, XLogP of 12.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-chloro-2-tri(propan-2-yl)silylethenylidene]-7-tri(propan-2-yl)silylhepta-1,4,6-triynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 15258551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).