2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane

C21H36Si — CID 15362355

IUPAC2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC12CC3CC(CC(C3)C1)C2)(C(C)C)C(C)C
InChIInChI=1S/C21H36Si/c1-15(2)22(16(3)4,17(5)6)8-7-21-12-18-9-19(13-21)11-20(10-18)14-21/h15-20H,9-14H2,1-6H3
InChIKeyHDUVRBDTDGQSBP-UHFFFAOYSA-N
MW316.61 g/mol
LogP6.42
Rot. Bonds3

About 2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane

2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane (PubChem CID 15362355) has the molecular formula C21H36Si and a molecular weight of 316.61 g/mol. Its IUPAC name is 2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane
PubChem CID15362355
Molecular FormulaC21H36Si
Molecular Weight316.61 g/mol
Exact Mass316.26
IUPAC Name2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane
SMILESCC(C)[Si](C#CC12CC3CC(CC(C3)C1)C2)(C(C)C)C(C)C
InChIInChI=1S/C21H36Si/c1-15(2)22(16(3)4,17(5)6)8-7-21-12-18-9-19(13-21)11-20(10-18)14-21/h15-20H,9-14H2,1-6H3
InChIKeyHDUVRBDTDGQSBP-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.61
LogP ≤ 56.42
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 2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane?
The IUPAC name of 2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane (CID 15362355) is 2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane.
What is the SMILES notation for 2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane?
The canonical SMILES for 2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane is CC(C)[Si](C#CC12CC3CC(CC(C3)C1)C2)(C(C)C)C(C)C.
What is the InChIKey of 2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane?
The InChIKey is HDUVRBDTDGQSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36Si/c1-15(2)22(16(3)4,17(5)6)8-7-21-12-18-9-19(13-21)11-20(10-18)14-21/h15-20H,9-14H2,1-6H3.
What are the key properties of 2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane?
2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane has a molecular weight of 316.61 g/mol, XLogP of 6.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)ethynyl-tri(propan-2-yl)silane is sourced from PubChem (CID 15362355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).