bis(2-hexylphenoxy)-dioctylstannane

C40H68O2Sn — CID 16703988

IUPACbis(2-hexylphenoxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1ccccc1CCCCCC)Oc1ccccc1CCCCCC
InChIInChI=1S/2C12H18O.2C8H17.Sn/c2*1-2-3-4-5-8-11-9-6-7-10-12(11)13;2*1-3-5-7-8-6-4-2;/h2*6-7,9-10,13H,2-5,8H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyBZEXJLWKXZQINY-UHFFFAOYSA-L
MW699.69 g/mol
LogP13.55
Rot. Bonds28

About bis(2-hexylphenoxy)-dioctylstannane

bis(2-hexylphenoxy)-dioctylstannane (PubChem CID 16703988) has the molecular formula C40H68O2Sn and a molecular weight of 699.69 g/mol. Its IUPAC name is bis(2-hexylphenoxy)-dioctylstannane.

Molecular Properties

Compound Namebis(2-hexylphenoxy)-dioctylstannane
PubChem CID16703988
Molecular FormulaC40H68O2Sn
Molecular Weight699.69 g/mol
Exact Mass700.42
IUPAC Namebis(2-hexylphenoxy)-dioctylstannane
SMILESCCCCCCCC[Sn](CCCCCCCC)(Oc1ccccc1CCCCCC)Oc1ccccc1CCCCCC
InChIInChI=1S/2C12H18O.2C8H17.Sn/c2*1-2-3-4-5-8-11-9-6-7-10-12(11)13;2*1-3-5-7-8-6-4-2;/h2*6-7,9-10,13H,2-5,8H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2
InChIKeyBZEXJLWKXZQINY-UHFFFAOYSA-L
XLogP13.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds28
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.69
LogP ≤ 513.55
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-butylphenoxy)-dioctylstannane
CID 67503102
bis(2-ethylphenoxy)-dioctylstannane
CID 67502723
tributyl-(2-nonylphenoxy)stannane
CID 16684544
bis(2,3-dipropylphenoxy)-dioctylstannane
CID 67501649
(2-octylphenoxy)phosphane
CID 163637323
[dimethyl-(2-pentylphenoxy)stannyl]oxy-dimethyl-(2-pentylphenoxy)stannane
CID 67502830
1-methoxy-2-tetradecylbenzene
CID 69169530
1-heptyl-2-octadecoxybenzene
CID 139667653
1-decyl-2-ethoxybenzene
CID 175243335
1-octadecoxy-2-tridecylbenzene
CID 139667656
disodium;1-hexadecyl-2-(2-hexadecylphenoxy)benzene;hydride
CID 175018973
sodium;1-dodecyl-2-(2-dodecylphenoxy)benzene;hydride
CID 173150069

Frequently Asked Questions

What is the IUPAC name of bis(2-hexylphenoxy)-dioctylstannane?
The IUPAC name of bis(2-hexylphenoxy)-dioctylstannane (CID 16703988) is bis(2-hexylphenoxy)-dioctylstannane.
What is the SMILES notation for bis(2-hexylphenoxy)-dioctylstannane?
The canonical SMILES for bis(2-hexylphenoxy)-dioctylstannane is CCCCCCCC[Sn](CCCCCCCC)(Oc1ccccc1CCCCCC)Oc1ccccc1CCCCCC.
What is the InChIKey of bis(2-hexylphenoxy)-dioctylstannane?
The InChIKey is BZEXJLWKXZQINY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H18O.2C8H17.Sn/c2*1-2-3-4-5-8-11-9-6-7-10-12(11)13;2*1-3-5-7-8-6-4-2;/h2*6-7,9-10,13H,2-5,8H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2.
What are the key properties of bis(2-hexylphenoxy)-dioctylstannane?
bis(2-hexylphenoxy)-dioctylstannane has a molecular weight of 699.69 g/mol, XLogP of 13.55, 28 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hexylphenoxy)-dioctylstannane is sourced from PubChem (CID 16703988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).