tributyl(2-deuterio(1,2-14C2)ethynyl)stannane

C14H28Sn — CID 177384784

IUPACtributyl(2-deuterio(1,2-14C2)ethynyl)stannane
SMILES[2H][14C]#[14C][Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;/i;;;1+2D,2+2;
InChIKeyYEMJHNYABQHWHL-ROAYTNAVSA-N
MW320.08 g/mol
LogP5.01
Rot. Bonds9

About tributyl(2-deuterio(1,2-14C2)ethynyl)stannane

tributyl(2-deuterio(1,2-14C2)ethynyl)stannane (PubChem CID 177384784) has the molecular formula C14H28Sn and a molecular weight of 320.08 g/mol. Its IUPAC name is tributyl(2-deuterio(1,2-14C2)ethynyl)stannane.

Molecular Properties

Compound Nametributyl(2-deuterio(1,2-14C2)ethynyl)stannane
PubChem CID177384784
Molecular FormulaC14H28Sn
Molecular Weight320.08 g/mol
Exact Mass321.13
IUPAC Nametributyl(2-deuterio(1,2-14C2)ethynyl)stannane
SMILES[2H][14C]#[14C][Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;/i;;;1+2D,2+2;
InChIKeyYEMJHNYABQHWHL-ROAYTNAVSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.08
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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Related Compounds

tetrabutylstannane
CID 160899301
tetrabutylstannane;hydrate
CID 87560971
tributyl-(2-deuterio-1,3-dithian-2-yl)stannane
CID 12015330
tribromo(butyl)stannane;dihydrate
CID 87907152
tributyl(hexadecyl)stannane
CID 174658060
tributyl-[(Z)-2-tributylstannylethenyl]stannane
CID 12858946
dibutyl(dichloro)stannane;dihydrochloride
CID 174960716
butyl(trioctyl)stannane;hydrochloride
CID 175572560
magnesium;butyl(trichloro)stannane;hydride
CID 174801683
dibromo(dibutyl)stannane;dibromo(dimethyl)stannane
CID 88779417
butyl(triisothiocyanato)stannane
CID 16683826
(1R)-2-methyl-1-tributylstannylpropan-1-ol
CID 71355540

Frequently Asked Questions

What is the IUPAC name of tributyl(2-deuterio(1,2-14C2)ethynyl)stannane?
The IUPAC name of tributyl(2-deuterio(1,2-14C2)ethynyl)stannane (CID 177384784) is tributyl(2-deuterio(1,2-14C2)ethynyl)stannane.
What is the SMILES notation for tributyl(2-deuterio(1,2-14C2)ethynyl)stannane?
The canonical SMILES for tributyl(2-deuterio(1,2-14C2)ethynyl)stannane is [2H][14C]#[14C][Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl(2-deuterio(1,2-14C2)ethynyl)stannane?
The InChIKey is YEMJHNYABQHWHL-ROAYTNAVSA-N. The full InChI is InChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;/i;;;1+2D,2+2;.
What are the key properties of tributyl(2-deuterio(1,2-14C2)ethynyl)stannane?
tributyl(2-deuterio(1,2-14C2)ethynyl)stannane has a molecular weight of 320.08 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(2-deuterio(1,2-14C2)ethynyl)stannane is sourced from PubChem (CID 177384784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).