CID 173027752

C9H22BrSn — CID 173027752

IUPAC—
SMILESBr.CC[Sn](CC)CCC(C)C
InChIInChI=1S/C5H11.2C2H5.BrH.Sn/c1-4-5(2)3;2*1-2;;/h5H,1,4H2,2-3H3;2*1H2,2H3;1H;
InChIKeyUNLADFSOPVVZRI-UHFFFAOYSA-N
MW328.89 g/mol
LogP4.14
Rot. Bonds5

About CID 173027752

CID 173027752 (PubChem CID 173027752) has the molecular formula C9H22BrSn and a molecular weight of 328.89 g/mol.

Molecular Properties

Compound NameCID 173027752
PubChem CID173027752
Molecular FormulaC9H22BrSn
Molecular Weight328.89 g/mol
Exact Mass328.99
IUPAC Name—
SMILESBr.CC[Sn](CC)CCC(C)C
InChIInChI=1S/C5H11.2C2H5.BrH.Sn/c1-4-5(2)3;2*1-2;;/h5H,1,4H2,2-3H3;2*1H2,2H3;1H;
InChIKeyUNLADFSOPVVZRI-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 173027752 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 173029686
CID 173029686
CID 25199846
CID 25199846
2-methylpentane
CID 7892
Triethylstannyllithium
CID 12719083
ethane;2-methylpentane
CID 143713716
azane;2-methylpentane
CID 18347292
azane;2-methylpentane
CID 87098569
2-methylpentane;hydroiodide
CID 160726714
2-methylheptadecane;hydrobromide
CID 174866228
3-methylbutoxyphosphane;hydrobromide
CID 175546648
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
ethane;methane;bis(2-methylpentane)
CID 142143156

Frequently Asked Questions

What is the IUPAC name of CID 173027752?
The IUPAC name of CID 173027752 (CID 173027752) is not available.
What is the SMILES notation for CID 173027752?
The canonical SMILES for CID 173027752 is Br.CC[Sn](CC)CCC(C)C.
What is the InChIKey of CID 173027752?
The InChIKey is UNLADFSOPVVZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.2C2H5.BrH.Sn/c1-4-5(2)3;2*1-2;;/h5H,1,4H2,2-3H3;2*1H2,2H3;1H;.
What are the key properties of CID 173027752?
CID 173027752 has a molecular weight of 328.89 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173027752 is sourced from PubChem (CID 173027752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).