tri(butan-2-yl)-ethynylgermane

C14H28Ge — CID 86237990

IUPACtri(butan-2-yl)-ethynylgermane
SMILESC#C[Ge](C(C)CC)(C(C)CC)C(C)CC
InChIInChI=1S/C14H28Ge/c1-8-12(5)15(11-4,13(6)9-2)14(7)10-3/h4,12-14H,8-10H2,1-3,5-7H3
InChIKeySGPFJCWJRDQQFC-UHFFFAOYSA-N
MW268.99 g/mol
LogP5.01
Rot. Bonds6

About tri(butan-2-yl)-ethynylgermane

tri(butan-2-yl)-ethynylgermane (PubChem CID 86237990) has the molecular formula C14H28Ge and a molecular weight of 268.99 g/mol. Its IUPAC name is tri(butan-2-yl)-ethynylgermane.

Molecular Properties

Compound Nametri(butan-2-yl)-ethynylgermane
PubChem CID86237990
Molecular FormulaC14H28Ge
Molecular Weight268.99 g/mol
Exact Mass270.14
IUPAC Nametri(butan-2-yl)-ethynylgermane
SMILESC#C[Ge](C(C)CC)(C(C)CC)C(C)CC
InChIInChI=1S/C14H28Ge/c1-8-12(5)15(11-4,13(6)9-2)14(7)10-3/h4,12-14H,8-10H2,1-3,5-7H3
InChIKeySGPFJCWJRDQQFC-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.99
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(butan-2-yl)-ethynylgermane?
The IUPAC name of tri(butan-2-yl)-ethynylgermane (CID 86237990) is tri(butan-2-yl)-ethynylgermane.
What is the SMILES notation for tri(butan-2-yl)-ethynylgermane?
The canonical SMILES for tri(butan-2-yl)-ethynylgermane is C#C[Ge](C(C)CC)(C(C)CC)C(C)CC.
What is the InChIKey of tri(butan-2-yl)-ethynylgermane?
The InChIKey is SGPFJCWJRDQQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Ge/c1-8-12(5)15(11-4,13(6)9-2)14(7)10-3/h4,12-14H,8-10H2,1-3,5-7H3.
What are the key properties of tri(butan-2-yl)-ethynylgermane?
tri(butan-2-yl)-ethynylgermane has a molecular weight of 268.99 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(butan-2-yl)-ethynylgermane is sourced from PubChem (CID 86237990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).