CID 171375325

C15H35BrSn — CID 171375325

IUPAC—
SMILESC=C(C)Br.CCCC.CCCC.CCCC.[Sn]
InChIInChI=1S/3C4H10.C3H5Br.Sn/c3*1-3-4-2;1-3(2)4;/h3*3-4H2,1-2H3;1H2,2H3;
InChIKeyFTXSGRODWBZEOV-UHFFFAOYSA-N
MW414.06 g/mol
LogP6.95
Rot. Bonds3

About CID 171375325

CID 171375325 (PubChem CID 171375325) has the molecular formula C15H35BrSn and a molecular weight of 414.06 g/mol.

Molecular Properties

Compound NameCID 171375325
PubChem CID171375325
Molecular FormulaC15H35BrSn
Molecular Weight414.06 g/mol
Exact Mass414.09
IUPAC Name—
SMILESC=C(C)Br.CCCC.CCCC.CCCC.[Sn]
InChIInChI=1S/3C4H10.C3H5Br.Sn/c3*1-3-4-2;1-3(2)4;/h3*3-4H2,1-2H3;1H2,2H3;
InChIKeyFTXSGRODWBZEOV-UHFFFAOYSA-N
XLogP6.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.06
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 171375325?
The IUPAC name of CID 171375325 (CID 171375325) is not available.
What is the SMILES notation for CID 171375325?
The canonical SMILES for CID 171375325 is C=C(C)Br.CCCC.CCCC.CCCC.[Sn].
What is the InChIKey of CID 171375325?
The InChIKey is FTXSGRODWBZEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10.C3H5Br.Sn/c3*1-3-4-2;1-3(2)4;/h3*3-4H2,1-2H3;1H2,2H3;.
What are the key properties of CID 171375325?
CID 171375325 has a molecular weight of 414.06 g/mol, XLogP of 6.95, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 171375325 is sourced from PubChem (CID 171375325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).