(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane

C52H94O3Sn2 — CID 87424027

IUPAC(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1cccc(C)c1CCC)O[Sn](CCCCCCCC)(CCCCCCCC)Oc1cccc(C)c1CCC
InChIInChI=1S/2C10H14O.4C8H17.O.2Sn/c2*1-3-5-9-8(2)6-4-7-10(9)11;4*1-3-5-7-8-6-4-2;;;/h2*4,6-7,11H,3,5H2,1-2H3;4*1,3-8H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyVCUJMVXWNHAQHR-UHFFFAOYSA-L
MW1004.74 g/mol
LogP18.01
Rot. Bonds38

About (3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane

(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane (PubChem CID 87424027) has the molecular formula C52H94O3Sn2 and a molecular weight of 1004.74 g/mol. Its IUPAC name is (3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane.

Molecular Properties

Compound Name(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane
PubChem CID87424027
Molecular FormulaC52H94O3Sn2
Molecular Weight1004.74 g/mol
Exact Mass1006.52
IUPAC Name(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1cccc(C)c1CCC)O[Sn](CCCCCCCC)(CCCCCCCC)Oc1cccc(C)c1CCC
InChIInChI=1S/2C10H14O.4C8H17.O.2Sn/c2*1-3-5-9-8(2)6-4-7-10(9)11;4*1-3-5-7-8-6-4-2;;;/h2*4,6-7,11H,3,5H2,1-2H3;4*1,3-8H2,2H3;;;/q;;;;;;;2*+1/p-2
InChIKeyVCUJMVXWNHAQHR-UHFFFAOYSA-L
XLogP18.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds38
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001004.74
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane
CID 67501542
bis(2-ethyl-3-methylphenoxy)-dioctylstannane
CID 67501334
bis(2,3-dipropylphenoxy)-dioctylstannane
CID 67501649
bis(3-ethyl-4-methyl-2-propylphenoxy)-dioctylstannane
CID 67502905
dibutyl-[dibutyl-(2,3-dipropylphenoxy)stannyl]oxy-(2,3-dipropylphenoxy)stannane
CID 67502677
dibutyl-[dibutyl-(2-methyl-3-pentylphenoxy)stannyl]oxy-(2-methyl-3-pentylphenoxy)stannane
CID 67501540
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
bis(2-butylphenoxy)-dioctylstannane
CID 67503102
bis(2-hexylphenoxy)-dioctylstannane
CID 16703988
bis(2-ethylphenoxy)-dioctylstannane
CID 67502723
(3-methyl-2-octylphenyl) hydrogen carbonate
CID 67179564
dibutyl-[dibutyl-(3-ethyl-2-methyl-4-propylphenoxy)stannyl]oxy-(3-ethyl-2-methyl-4-propylphenoxy)stannane
CID 67502370

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane?
The IUPAC name of (3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane (CID 87424027) is (3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane.
What is the SMILES notation for (3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane?
The canonical SMILES for (3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane is CCCCCCCC[Sn](CCCCCCCC)(Oc1cccc(C)c1CCC)O[Sn](CCCCCCCC)(CCCCCCCC)Oc1cccc(C)c1CCC.
What is the InChIKey of (3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane?
The InChIKey is VCUJMVXWNHAQHR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H14O.4C8H17.O.2Sn/c2*1-3-5-9-8(2)6-4-7-10(9)11;4*1-3-5-7-8-6-4-2;;;/h2*4,6-7,11H,3,5H2,1-2H3;4*1,3-8H2,2H3;;;/q;;;;;;;2*+1/p-2.
What are the key properties of (3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane?
(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane has a molecular weight of 1004.74 g/mol, XLogP of 18.01, 38 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane is sourced from PubChem (CID 87424027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).