tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane

C22H46O2Sn — CID 23660647

IUPACtributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane
SMILESCCCC[C@@]1([Sn](CCCC)(CCCC)CCCC)C[C@H]1COCOC
InChIInChI=1S/C10H19O2.3C4H9.Sn/c1-3-4-5-9-6-10(9)7-12-8-11-2;3*1-3-4-2;/h10H,3-8H2,1-2H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1
InChIKeyUZUQFNFMMXSJSX-CZEDPBFNSA-N
MW461.32 g/mol
LogP7.41
Rot. Bonds17

About tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane

tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane (PubChem CID 23660647) has the molecular formula C22H46O2Sn and a molecular weight of 461.32 g/mol. Its IUPAC name is tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane.

Molecular Properties

Compound Nametributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane
PubChem CID23660647
Molecular FormulaC22H46O2Sn
Molecular Weight461.32 g/mol
Exact Mass462.25
IUPAC Nametributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane
SMILESCCCC[C@@]1([Sn](CCCC)(CCCC)CCCC)C[C@H]1COCOC
InChIInChI=1S/C10H19O2.3C4H9.Sn/c1-3-4-5-9-6-10(9)7-12-8-11-2;3*1-3-4-2;/h10H,3-8H2,1-2H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1
InChIKeyUZUQFNFMMXSJSX-CZEDPBFNSA-N
XLogP7.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.32
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Bis-Propylheptyl Carbonate
CID 87573553
3,3'-(Methylenebis(oxymethylene))bisheptane
CID 89612
Isodecane, (methylidynetris(oxy))tris-
CID 117936
Undecane, 1,1-diethoxy-2-methyl-
CID 106788
Bis(2-butyloctyl) carbonate
CID 57161983
1,1-Dimethoxy-13-methyltetradecane
CID 13846767
cis-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)-1-methylcyclopropane
CID 101213914
trans-(1R,2R)-1-ethyl-1-hexyl-2-(methoxymethoxymethyl)cyclopropane
CID 101213922
trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane
CID 134854828
(3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane
CID 134854869
tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane
CID 134889001
(3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane
CID 134970307

Frequently Asked Questions

What is the IUPAC name of tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane?
The IUPAC name of tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane (CID 23660647) is tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane.
What is the SMILES notation for tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane?
The canonical SMILES for tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane is CCCC[C@@]1([Sn](CCCC)(CCCC)CCCC)C[C@H]1COCOC.
What is the InChIKey of tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane?
The InChIKey is UZUQFNFMMXSJSX-CZEDPBFNSA-N. The full InChI is InChI=1S/C10H19O2.3C4H9.Sn/c1-3-4-5-9-6-10(9)7-12-8-11-2;3*1-3-4-2;/h10H,3-8H2,1-2H3;3*1,3-4H2,2H3;/t10-;;;;/m0..../s1.
What are the key properties of tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane?
tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane has a molecular weight of 461.32 g/mol, XLogP of 7.41, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane is sourced from PubChem (CID 23660647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).