CID 101281128

C14H28Sn — CID 101281128

IUPAC—
SMILES[CH2]CCC.[CH2]CCC.[CH2]CCC.[C]#C.[Sn]
InChIInChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;
InChIKeyYEMJHNYABQHWHL-UHFFFAOYSA-N
MW315.09 g/mol
LogP4.69
Rot. Bonds3

About CID 101281128

CID 101281128 (PubChem CID 101281128) has the molecular formula C14H28Sn and a molecular weight of 315.09 g/mol.

Molecular Properties

Compound NameCID 101281128
PubChem CID101281128
Molecular FormulaC14H28Sn
Molecular Weight315.09 g/mol
Exact Mass316.12
IUPAC Name—
SMILES[CH2]CCC.[CH2]CCC.[CH2]CCC.[C]#C.[Sn]
InChIInChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;
InChIKeyYEMJHNYABQHWHL-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.09
LogP ≤ 54.69
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 CID 101281128?
The IUPAC name of CID 101281128 (CID 101281128) is not available.
What is the SMILES notation for CID 101281128?
The canonical SMILES for CID 101281128 is [CH2]CCC.[CH2]CCC.[CH2]CCC.[C]#C.[Sn].
What is the InChIKey of CID 101281128?
The InChIKey is YEMJHNYABQHWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9.C2H.Sn/c3*1-3-4-2;1-2;/h3*1,3-4H2,2H3;1H;.
What are the key properties of CID 101281128?
CID 101281128 has a molecular weight of 315.09 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101281128 is sourced from PubChem (CID 101281128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).