(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

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Related Compounds

(2-chloro-6-iodophenyl) N-propan-2-ylcarbamate
CID 11209985
2-tributylstannylbenzohydrazide
CID 66859798
(3-chloro-2-nonanoyloxyphenyl) nonanoate
CID 140675728
ethyl 2-(2,6-dichlorophenoxy)propanoate
CID 13177850
1-O-butyl 3-O-(2,6-dichlorophenyl) 2,2-dimethylpropanedioate
CID 91708556
ethyl 2-[(2,6-dichlorobenzoyl)amino]propanoate
CID 54960145
2-amino-6-chloro-N-hexan-2-ylbenzamide
CID 63660411
10-O-(2,6-dichlorophenyl) 1-O-pentadecyl decanedioate
CID 91729717
ethyl 2-(3-chloro-2-methoxyphenyl)propanoate
CID 70047747
ethyl N-[(2,6-dichlorophenyl)-(ethoxycarbonylamino)methyl]carbamate
CID 124926176
(2,6-dichlorophenyl) 1-butyl-6-oxopyridazine-3-carboxylate
CID 86975448
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535

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).