bis(phenylmethoxy)methyl-butyltin

C19H24O2Sn — CID 175239636

IUPACbis(phenylmethoxy)methyl-butyltin
SMILESCCCC[Sn]C(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H15O2.C4H9.Sn/c1-3-7-14(8-4-1)11-16-13-17-12-15-9-5-2-6-10-15;1-3-4-2;/h1-10,13H,11-12H2;1,3-4H2,2H3;
InChIKeyJBWJIKFFOAELKT-UHFFFAOYSA-N
MW403.11 g/mol
LogP4.63
Rot. Bonds10

About bis(phenylmethoxy)methyl-butyltin

bis(phenylmethoxy)methyl-butyltin (PubChem CID 175239636) has the molecular formula C19H24O2Sn and a molecular weight of 403.11 g/mol. Its IUPAC name is bis(phenylmethoxy)methyl-butyltin.

Molecular Properties

Compound Namebis(phenylmethoxy)methyl-butyltin
PubChem CID175239636
Molecular FormulaC19H24O2Sn
Molecular Weight403.11 g/mol
Exact Mass404.08
IUPAC Namebis(phenylmethoxy)methyl-butyltin
SMILESCCCC[Sn]C(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C15H15O2.C4H9.Sn/c1-3-7-14(8-4-1)11-16-13-17-12-15-9-5-2-6-10-15;1-3-4-2;/h1-10,13H,11-12H2;1,3-4H2,2H3;
InChIKeyJBWJIKFFOAELKT-UHFFFAOYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.11
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze bis(phenylmethoxy)methyl-butyltin 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

N-(2-phenylmethoxypropyl)butan-1-amine
CID 62566134
[(2R,3S)-3-butoxybutan-2-yl]oxymethylbenzene
CID 57055398
(2S)-2-phenylmethoxyhenicosane-1,3-diol
CID 70526440
1-butoxypropan-2-yloxymethylbenzene
CID 12963722
butan-2-yloxymethylbenzene;ethane
CID 161043537
1-phenylmethoxydecan-1-ol
CID 152749890
[(2R)-nonadec-4-yn-2-yl]oxymethylbenzene
CID 175428150
(2S)-2-phenylmethoxyicosan-1-ol
CID 168831191
1-propoxyethoxymethylbenzene
CID 141304441
hexan-3-yloxymethylbenzene
CID 20782034
oct-1-yn-4-yloxymethylbenzene
CID 154226048
1-phenylmethoxypentoxyboronic acid
CID 68977876

Frequently Asked Questions

What is the IUPAC name of bis(phenylmethoxy)methyl-butyltin?
The IUPAC name of bis(phenylmethoxy)methyl-butyltin (CID 175239636) is bis(phenylmethoxy)methyl-butyltin.
What is the SMILES notation for bis(phenylmethoxy)methyl-butyltin?
The canonical SMILES for bis(phenylmethoxy)methyl-butyltin is CCCC[Sn]C(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of bis(phenylmethoxy)methyl-butyltin?
The InChIKey is JBWJIKFFOAELKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O2.C4H9.Sn/c1-3-7-14(8-4-1)11-16-13-17-12-15-9-5-2-6-10-15;1-3-4-2;/h1-10,13H,11-12H2;1,3-4H2,2H3;.
What are the key properties of bis(phenylmethoxy)methyl-butyltin?
bis(phenylmethoxy)methyl-butyltin has a molecular weight of 403.11 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylmethoxy)methyl-butyltin is sourced from PubChem (CID 175239636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).