trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane

C18H30Si2 — CID 12071128

IUPACtrimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane
SMILESCC(C)[Si](C#CC#CC#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H30Si2/c1-16(2)20(17(3)4,18(5)6)15-13-11-10-12-14-19(7,8)9/h16-18H,1-9H3
InChIKeyJNDGDOPAZYPWNK-UHFFFAOYSA-N
MW302.61 g/mol
LogP5.09
Rot. Bonds3

About trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane

trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane (PubChem CID 12071128) has the molecular formula C18H30Si2 and a molecular weight of 302.61 g/mol. Its IUPAC name is trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane.

Molecular Properties

Compound Nametrimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane
PubChem CID12071128
Molecular FormulaC18H30Si2
Molecular Weight302.61 g/mol
Exact Mass302.19
IUPAC Nametrimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane
SMILESCC(C)[Si](C#CC#CC#C[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H30Si2/c1-16(2)20(17(3)4,18(5)6)15-13-11-10-12-14-19(7,8)9/h16-18H,1-9H3
InChIKeyJNDGDOPAZYPWNK-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.61
LogP ≤ 55.09
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 trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane?
The IUPAC name of trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane (CID 12071128) is trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane.
What is the SMILES notation for trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane?
The canonical SMILES for trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane is CC(C)[Si](C#CC#CC#C[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane?
The InChIKey is JNDGDOPAZYPWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30Si2/c1-16(2)20(17(3)4,18(5)6)15-13-11-10-12-14-19(7,8)9/h16-18H,1-9H3.
What are the key properties of trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane?
trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane has a molecular weight of 302.61 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[6-tri(propan-2-yl)silylhexa-1,3,5-triynyl]silane is sourced from PubChem (CID 12071128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).