(2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate

C22H38ClNO2Sn — CID 15537285

IUPAC(2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(Cl)c1OC(=O)NC(C)C
InChIInChI=1S/C10H11ClNO2.3C4H9.Sn/c1-7(2)12-10(13)14-9-6-4-3-5-8(9)11;3*1-3-4-2;/h3-5,7H,1-2H3,(H,12,13);3*1,3-4H2,2H3;
InChIKeyDGHCTIRXEIHHQU-UHFFFAOYSA-N
MW502.72 g/mol
LogP6.89
Rot. Bonds12

About (2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate

(2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate (PubChem CID 15537285) has the molecular formula C22H38ClNO2Sn and a molecular weight of 502.72 g/mol. Its IUPAC name is (2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate
PubChem CID15537285
Molecular FormulaC22H38ClNO2Sn
Molecular Weight502.72 g/mol
Exact Mass503.16
IUPAC Name(2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate
SMILESCCCC[Sn](CCCC)(CCCC)c1cccc(Cl)c1OC(=O)NC(C)C
InChIInChI=1S/C10H11ClNO2.3C4H9.Sn/c1-7(2)12-10(13)14-9-6-4-3-5-8(9)11;3*1-3-4-2;/h3-5,7H,1-2H3,(H,12,13);3*1,3-4H2,2H3;
InChIKeyDGHCTIRXEIHHQU-UHFFFAOYSA-N
XLogP6.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.72
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate 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 (2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate?
The IUPAC name of (2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate (CID 15537285) is (2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate?
The canonical SMILES for (2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate is CCCC[Sn](CCCC)(CCCC)c1cccc(Cl)c1OC(=O)NC(C)C.
What is the InChIKey of (2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate?
The InChIKey is DGHCTIRXEIHHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClNO2.3C4H9.Sn/c1-7(2)12-10(13)14-9-6-4-3-5-8(9)11;3*1-3-4-2;/h3-5,7H,1-2H3,(H,12,13);3*1,3-4H2,2H3;.
What are the key properties of (2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate?
(2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate has a molecular weight of 502.72 g/mol, XLogP of 6.89, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-tributylstannylphenyl) N-propan-2-ylcarbamate is sourced from PubChem (CID 15537285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).