CID 102057607

C15H30Sn — CID 102057607

IUPAC—
SMILES[CH2]CCC.[CH2]CCC.[CH2]CCC.[C]#CC.[Sn]
InChIInChI=1S/3C4H9.C3H3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1H3;
InChIKeyKCQJLTOSSVXOCC-UHFFFAOYSA-N
MW329.12 g/mol
LogP5.08
Rot. Bonds3

About CID 102057607

CID 102057607 (PubChem CID 102057607) has the molecular formula C15H30Sn and a molecular weight of 329.12 g/mol.

Molecular Properties

Compound NameCID 102057607
PubChem CID102057607
Molecular FormulaC15H30Sn
Molecular Weight329.12 g/mol
Exact Mass330.14
IUPAC Name—
SMILES[CH2]CCC.[CH2]CCC.[CH2]CCC.[C]#CC.[Sn]
InChIInChI=1S/3C4H9.C3H3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1H3;
InChIKeyKCQJLTOSSVXOCC-UHFFFAOYSA-N
XLogP5.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.12
LogP ≤ 55.08
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

Tributylstannane
CID 5948
Dibutylstannane
CID 6513
Tetrapropylstannane
CID 16585
Tributylmethylstannane
CID 15214
Tetraisopropyltin
CID 18063
Tributylstannanyl
CID 3032732
Ethynyltributyltin
CID 621176
(Dibutyl)stannane
CID 9543249
Dibutyl-zinn [German]
CID 6484
Tributyl(prop-1-yn-1-yl)stannane
CID 2733165
Tributylstannylium
CID 37499
Stannane, butyltriethyl-
CID 87162

Frequently Asked Questions

What is the IUPAC name of CID 102057607?
The IUPAC name of CID 102057607 (CID 102057607) is not available.
What is the SMILES notation for CID 102057607?
The canonical SMILES for CID 102057607 is [CH2]CCC.[CH2]CCC.[CH2]CCC.[C]#CC.[Sn].
What is the InChIKey of CID 102057607?
The InChIKey is KCQJLTOSSVXOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C3H3.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;1H3;.
What are the key properties of CID 102057607?
CID 102057607 has a molecular weight of 329.12 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 102057607 is sourced from PubChem (CID 102057607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).