chloro-dimethyl-prop-1-ynylstannane

C5H9ClSn — CID 13486568

IUPACchloro-dimethyl-prop-1-ynylstannane
SMILESCC#C[Sn](C)(C)Cl
InChIInChI=1S/C3H3.2CH3.ClH.Sn/c1-3-2;;;;/h1H3;2*1H3;1H;/q;;;;+1/p-1
InChIKeyWPLULDREQYKABT-UHFFFAOYSA-M
MW223.29 g/mol
LogP1.99
Rot. Bonds

About chloro-dimethyl-prop-1-ynylstannane

chloro-dimethyl-prop-1-ynylstannane (PubChem CID 13486568) has the molecular formula C5H9ClSn and a molecular weight of 223.29 g/mol. Its IUPAC name is chloro-dimethyl-prop-1-ynylstannane.

Molecular Properties

Compound Namechloro-dimethyl-prop-1-ynylstannane
PubChem CID13486568
Molecular FormulaC5H9ClSn
Molecular Weight223.29 g/mol
Exact Mass223.94
IUPAC Namechloro-dimethyl-prop-1-ynylstannane
SMILESCC#C[Sn](C)(C)Cl
InChIInChI=1S/C3H3.2CH3.ClH.Sn/c1-3-2;;;;/h1H3;2*1H3;1H;/q;;;;+1/p-1
InChIKeyWPLULDREQYKABT-UHFFFAOYSA-M
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze chloro-dimethyl-prop-1-ynylstannane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-dimethyl-prop-1-ynylstannane?
The IUPAC name of chloro-dimethyl-prop-1-ynylstannane (CID 13486568) is chloro-dimethyl-prop-1-ynylstannane.
What is the SMILES notation for chloro-dimethyl-prop-1-ynylstannane?
The canonical SMILES for chloro-dimethyl-prop-1-ynylstannane is CC#C[Sn](C)(C)Cl.
What is the InChIKey of chloro-dimethyl-prop-1-ynylstannane?
The InChIKey is WPLULDREQYKABT-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3.2CH3.ClH.Sn/c1-3-2;;;;/h1H3;2*1H3;1H;/q;;;;+1/p-1.
What are the key properties of chloro-dimethyl-prop-1-ynylstannane?
chloro-dimethyl-prop-1-ynylstannane has a molecular weight of 223.29 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-dimethyl-prop-1-ynylstannane is sourced from PubChem (CID 13486568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).