bis(2-ethyl-3-methylphenoxy)-dioctylstannane

C34H56O2Sn — CID 67501334

IUPACbis(2-ethyl-3-methylphenoxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1cccc(C)c1CC)Oc1cccc(C)c1CC
InChIInChI=1S/2C9H12O.2C8H17.Sn/c2*1-3-8-7(2)5-4-6-9(8)10;2*1-3-5-7-8-6-4-2;/h2*4-6,10H,3H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyLJAKOTBPESKSMF-UHFFFAOYSA-L
MW615.53 g/mol
LogP11.05
Rot. Bonds20

About bis(2-ethyl-3-methylphenoxy)-dioctylstannane

bis(2-ethyl-3-methylphenoxy)-dioctylstannane (PubChem CID 67501334) has the molecular formula C34H56O2Sn and a molecular weight of 615.53 g/mol. Its IUPAC name is bis(2-ethyl-3-methylphenoxy)-dioctylstannane.

Molecular Properties

Compound Namebis(2-ethyl-3-methylphenoxy)-dioctylstannane
PubChem CID67501334
Molecular FormulaC34H56O2Sn
Molecular Weight615.53 g/mol
Exact Mass616.33
IUPAC Namebis(2-ethyl-3-methylphenoxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1cccc(C)c1CC)Oc1cccc(C)c1CC
InChIInChI=1S/2C9H12O.2C8H17.Sn/c2*1-3-8-7(2)5-4-6-9(8)10;2*1-3-5-7-8-6-4-2;/h2*4-6,10H,3H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyLJAKOTBPESKSMF-UHFFFAOYSA-L
XLogP11.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.53
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-2-propylphenoxy)-[(3-methyl-2-propylphenoxy)-dioctylstannyl]oxy-dioctylstannane
CID 87424027
bis(3-ethyl-4-methyl-2-propylphenoxy)-dioctylstannane
CID 67502905
dibutyl-[dibutyl-(3-methyl-2-pentylphenoxy)stannyl]oxy-(3-methyl-2-pentylphenoxy)stannane
CID 67501542
bis(2,3-dipropylphenoxy)-dioctylstannane
CID 67501649
bis(2-ethylphenoxy)-dioctylstannane
CID 67502723
bis(2-butylphenoxy)-dioctylstannane
CID 67503102
bis(2-hexylphenoxy)-dioctylstannane
CID 16703988
2-butyl-1-(2-butyl-3-methylphenoxy)-3-methylbenzene
CID 175265756
2-fluoro-1-hexoxy-3-methylbenzene
CID 107662011
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
1-(difluoromethoxy)-2-ethyl-3-methylbenzene
CID 118269125

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-3-methylphenoxy)-dioctylstannane?
The IUPAC name of bis(2-ethyl-3-methylphenoxy)-dioctylstannane (CID 67501334) is bis(2-ethyl-3-methylphenoxy)-dioctylstannane.
What is the SMILES notation for bis(2-ethyl-3-methylphenoxy)-dioctylstannane?
The canonical SMILES for bis(2-ethyl-3-methylphenoxy)-dioctylstannane is CCCCCCCC[Sn](CCCCCCCC)(Oc1cccc(C)c1CC)Oc1cccc(C)c1CC.
What is the InChIKey of bis(2-ethyl-3-methylphenoxy)-dioctylstannane?
The InChIKey is LJAKOTBPESKSMF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H12O.2C8H17.Sn/c2*1-3-8-7(2)5-4-6-9(8)10;2*1-3-5-7-8-6-4-2;/h2*4-6,10H,3H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2.
What are the key properties of bis(2-ethyl-3-methylphenoxy)-dioctylstannane?
bis(2-ethyl-3-methylphenoxy)-dioctylstannane has a molecular weight of 615.53 g/mol, XLogP of 11.05, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-3-methylphenoxy)-dioctylstannane is sourced from PubChem (CID 67501334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).