5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane

C17H34Si — CID 59628200

IUPAC5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34Si/c1-14(2)18(15(3)4,16(5)6)13-11-10-12-17(7,8)9/h14-16H,10,12H2,1-9H3
InChIKeyWYBKIWJMEGGYLG-UHFFFAOYSA-N
MW266.54 g/mol
LogP6.03
Rot. Bonds4

About 5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane

5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane (PubChem CID 59628200) has the molecular formula C17H34Si and a molecular weight of 266.54 g/mol. Its IUPAC name is 5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane
PubChem CID59628200
Molecular FormulaC17H34Si
Molecular Weight266.54 g/mol
Exact Mass266.24
IUPAC Name5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CCCC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34Si/c1-14(2)18(15(3)4,16(5)6)13-11-10-12-17(7,8)9/h14-16H,10,12H2,1-9H3
InChIKeyWYBKIWJMEGGYLG-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.54
LogP ≤ 56.03
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 5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane?
The IUPAC name of 5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane (CID 59628200) is 5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane?
The canonical SMILES for 5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CCCC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane?
The InChIKey is WYBKIWJMEGGYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34Si/c1-14(2)18(15(3)4,16(5)6)13-11-10-12-17(7,8)9/h14-16H,10,12H2,1-9H3.
What are the key properties of 5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane?
5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane has a molecular weight of 266.54 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhex-1-ynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 59628200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).