bis(2-ethylphenoxy)-dioctylstannane

C32H52O2Sn — CID 67502723

IUPACbis(2-ethylphenoxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1ccccc1CC)Oc1ccccc1CC
InChIInChI=1S/2C8H10O.2C8H17.Sn/c2*1-2-7-5-3-4-6-8(7)9;2*1-3-5-7-8-6-4-2;/h2*3-6,9H,2H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyBMFGWDLDLXBONA-UHFFFAOYSA-L
MW587.48 g/mol
LogP10.43
Rot. Bonds20

About bis(2-ethylphenoxy)-dioctylstannane

bis(2-ethylphenoxy)-dioctylstannane (PubChem CID 67502723) has the molecular formula C32H52O2Sn and a molecular weight of 587.48 g/mol. Its IUPAC name is bis(2-ethylphenoxy)-dioctylstannane.

Molecular Properties

Compound Namebis(2-ethylphenoxy)-dioctylstannane
PubChem CID67502723
Molecular FormulaC32H52O2Sn
Molecular Weight587.48 g/mol
Exact Mass588.30
IUPAC Namebis(2-ethylphenoxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1ccccc1CC)Oc1ccccc1CC
InChIInChI=1S/2C8H10O.2C8H17.Sn/c2*1-2-7-5-3-4-6-8(7)9;2*1-3-5-7-8-6-4-2;/h2*3-6,9H,2H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyBMFGWDLDLXBONA-UHFFFAOYSA-L
XLogP10.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.48
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(2-ethylphenoxy)-dioctylstannane 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

bis(2-butylphenoxy)-dioctylstannane
CID 67503102
bis(2-hexylphenoxy)-dioctylstannane
CID 16703988
bis(2,3-dipropylphenoxy)-dioctylstannane
CID 67501649
bis(2-ethyl-3-methylphenoxy)-dioctylstannane
CID 67501334
1-ethyl-2-heptoxybenzene
CID 22723794
tributyl-(2-nonylphenoxy)stannane
CID 16684544
bis(3-ethyl-4-methyl-2-propylphenoxy)-dioctylstannane
CID 67502905
dibutyl-[dibutyl-(2-methyl-3-pentylphenoxy)stannyl]oxy-(2-methyl-3-pentylphenoxy)stannane
CID 67501540
(2-ethylphenyl) (2-heptylphenyl) carbonate
CID 67179908
(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane
CID 87424027
(2-octylphenoxy)phosphane
CID 163637323
dibutyl-bis[2-(2-methylpentan-2-yl)phenoxy]stannane
CID 67502104

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylphenoxy)-dioctylstannane?
The IUPAC name of bis(2-ethylphenoxy)-dioctylstannane (CID 67502723) is bis(2-ethylphenoxy)-dioctylstannane.
What is the SMILES notation for bis(2-ethylphenoxy)-dioctylstannane?
The canonical SMILES for bis(2-ethylphenoxy)-dioctylstannane is CCCCCCCC[Sn](CCCCCCCC)(Oc1ccccc1CC)Oc1ccccc1CC.
What is the InChIKey of bis(2-ethylphenoxy)-dioctylstannane?
The InChIKey is BMFGWDLDLXBONA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H10O.2C8H17.Sn/c2*1-2-7-5-3-4-6-8(7)9;2*1-3-5-7-8-6-4-2;/h2*3-6,9H,2H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2.
What are the key properties of bis(2-ethylphenoxy)-dioctylstannane?
bis(2-ethylphenoxy)-dioctylstannane has a molecular weight of 587.48 g/mol, XLogP of 10.43, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylphenoxy)-dioctylstannane is sourced from PubChem (CID 67502723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).