bis(2-butylphenoxy)-dioctylstannane

C36H60O2Sn — CID 67503102

IUPACbis(2-butylphenoxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1ccccc1CCCC)Oc1ccccc1CCCC
InChIInChI=1S/2C10H14O.2C8H17.Sn/c2*1-2-3-6-9-7-4-5-8-10(9)11;2*1-3-5-7-8-6-4-2;/h2*4-5,7-8,11H,2-3,6H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyBHTICAYXTCLBQP-UHFFFAOYSA-L
MW643.59 g/mol
LogP11.99
Rot. Bonds24

About bis(2-butylphenoxy)-dioctylstannane

bis(2-butylphenoxy)-dioctylstannane (PubChem CID 67503102) has the molecular formula C36H60O2Sn and a molecular weight of 643.59 g/mol. Its IUPAC name is bis(2-butylphenoxy)-dioctylstannane.

Molecular Properties

Compound Namebis(2-butylphenoxy)-dioctylstannane
PubChem CID67503102
Molecular FormulaC36H60O2Sn
Molecular Weight643.59 g/mol
Exact Mass644.36
IUPAC Namebis(2-butylphenoxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1ccccc1CCCC)Oc1ccccc1CCCC
InChIInChI=1S/2C10H14O.2C8H17.Sn/c2*1-2-3-6-9-7-4-5-8-10(9)11;2*1-3-5-7-8-6-4-2;/h2*4-5,7-8,11H,2-3,6H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyBHTICAYXTCLBQP-UHFFFAOYSA-L
XLogP11.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.59
LogP ≤ 511.99
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

bis(2-hexylphenoxy)-dioctylstannane
CID 16703988
bis(2-ethylphenoxy)-dioctylstannane
CID 67502723
tributyl-(2-nonylphenoxy)stannane
CID 16684544
bis(2,3-dipropylphenoxy)-dioctylstannane
CID 67501649
(2-octylphenoxy)phosphane
CID 163637323
1-butyl-2-nonoxybenzene
CID 118255282
[dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane
CID 67502830
bis(2-ethyl-3-methylphenoxy)-dioctylstannane
CID 67501334
1-methoxy-2-tetradecylbenzene
CID 69169530
dibutyl-[dibutyl-(2-methyl-3-pentylphenoxy)stannyl]oxy-(2-methyl-3-pentylphenoxy)stannane
CID 67501540
1-heptyl-2-octadecoxybenzene
CID 139667653
1-decyl-2-ethoxybenzene
CID 175243335

Frequently Asked Questions

What is the IUPAC name of bis(2-butylphenoxy)-dioctylstannane?
The IUPAC name of bis(2-butylphenoxy)-dioctylstannane (CID 67503102) is bis(2-butylphenoxy)-dioctylstannane.
What is the SMILES notation for bis(2-butylphenoxy)-dioctylstannane?
The canonical SMILES for bis(2-butylphenoxy)-dioctylstannane is CCCCCCCC[Sn](CCCCCCCC)(Oc1ccccc1CCCC)Oc1ccccc1CCCC.
What is the InChIKey of bis(2-butylphenoxy)-dioctylstannane?
The InChIKey is BHTICAYXTCLBQP-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H14O.2C8H17.Sn/c2*1-2-3-6-9-7-4-5-8-10(9)11;2*1-3-5-7-8-6-4-2;/h2*4-5,7-8,11H,2-3,6H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2.
What are the key properties of bis(2-butylphenoxy)-dioctylstannane?
bis(2-butylphenoxy)-dioctylstannane has a molecular weight of 643.59 g/mol, XLogP of 11.99, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-butylphenoxy)-dioctylstannane is sourced from PubChem (CID 67503102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).