dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate

C20H46O3Sn — CID 174445619

IUPACdibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate
SMILESCCCCC(C)(CCCC)O[Sn](CCCC)(CCCC)OCC.O
InChIInChI=1S/C10H21O.2C4H9.C2H5O.H2O.Sn/c1-4-6-8-10(3,11)9-7-5-2;2*1-3-4-2;1-2-3;;/h4-9H2,1-3H3;2*1,3-4H2,2H3;2H2,1H3;1H2;/q-1;;;-1;;+2
InChIKeyLWORUDPWHUURRR-UHFFFAOYSA-N
MW453.30 g/mol
LogP6.40
Rot. Bonds16

About dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate

dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate (PubChem CID 174445619) has the molecular formula C20H46O3Sn and a molecular weight of 453.30 g/mol. Its IUPAC name is dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate.

Molecular Properties

Compound Namedibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate
PubChem CID174445619
Molecular FormulaC20H46O3Sn
Molecular Weight453.30 g/mol
Exact Mass454.25
IUPAC Namedibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate
SMILESCCCCC(C)(CCCC)O[Sn](CCCC)(CCCC)OCC.O
InChIInChI=1S/C10H21O.2C4H9.C2H5O.H2O.Sn/c1-4-6-8-10(3,11)9-7-5-2;2*1-3-4-2;1-2-3;;/h4-9H2,1-3H3;2*1,3-4H2,2H3;2H2,1H3;1H2;/q-1;;;-1;;+2
InChIKeyLWORUDPWHUURRR-UHFFFAOYSA-N
XLogP6.40
TPSA49.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.30
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dibutyl(diethoxy)stannane
CID 16693734
1-(5-methylnonan-5-yloxy)ethane-1,1-diol
CID 54213757
dibutyl-di(nonoxy)stannane
CID 87642820
3-methoxy-3-methyldodecane
CID 150409844
CID 153327815
CID 153327815
4-ethyl-4,5,5-trimethylnonane
CID 57492041
2,2-dimethylhexane
CID 169424592
tetrabutylstannane;hydrate
CID 87560971
[dibutyl(triethoxysilyloxy)stannyl] triethyl silicate
CID 16684289
17-ethylperoxy-17-methyltritriacontane
CID 173208911
5,5,6,6-tetramethyltridecane
CID 173349107
(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-ol
CID 14248080

Frequently Asked Questions

What is the IUPAC name of dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate?
The IUPAC name of dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate (CID 174445619) is dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate.
What is the SMILES notation for dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate?
The canonical SMILES for dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate is CCCCC(C)(CCCC)O[Sn](CCCC)(CCCC)OCC.O.
What is the InChIKey of dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate?
The InChIKey is LWORUDPWHUURRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O.2C4H9.C2H5O.H2O.Sn/c1-4-6-8-10(3,11)9-7-5-2;2*1-3-4-2;1-2-3;;/h4-9H2,1-3H3;2*1,3-4H2,2H3;2H2,1H3;1H2;/q-1;;;-1;;+2.
What are the key properties of dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate?
dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate has a molecular weight of 453.30 g/mol, XLogP of 6.40, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-ethoxy-(5-methylnonan-5-yloxy)stannane;hydrate is sourced from PubChem (CID 174445619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).