tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane

C34H72O2Sn2 — CID 134889001

IUPACtributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane
SMILESCCCC[C@]1([Sn](CCCC)(CCCC)CCCC)[C@H](COCOC)[C@@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H18O2.6C4H9.2Sn/c1-3-4-5-9-6-10(9)7-12-8-11-2;6*1-3-4-2;;/h6,10H,3-5,7-8H2,1-2H3;6*1,3-4H2,2H3;;/t10-;;;;;;;;/m0......../s1
InChIKeyFDAWRYIYDVKSIH-IJYJYDAPSA-N
MW750.37 g/mol
LogP12.24
Rot. Bonds27

About tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane

tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane (PubChem CID 134889001) has the molecular formula C34H72O2Sn2 and a molecular weight of 750.37 g/mol. Its IUPAC name is tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane.

Molecular Properties

Compound Nametributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane
PubChem CID134889001
Molecular FormulaC34H72O2Sn2
Molecular Weight750.37 g/mol
Exact Mass752.36
IUPAC Nametributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane
SMILESCCCC[C@]1([Sn](CCCC)(CCCC)CCCC)[C@H](COCOC)[C@@H]1[Sn](CCCC)(CCCC)CCCC
InChIInChI=1S/C10H18O2.6C4H9.2Sn/c1-3-4-5-9-6-10(9)7-12-8-11-2;6*1-3-4-2;;/h6,10H,3-5,7-8H2,1-2H3;6*1,3-4H2,2H3;;/t10-;;;;;;;;/m0......../s1
InChIKeyFDAWRYIYDVKSIH-IJYJYDAPSA-N
XLogP12.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds27
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.37
LogP ≤ 512.24
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

Isodecane, (methylidynetris(oxy))tris-
CID 117936
Bis(2-hexyldecyl) carbonate
CID 17958724
tributyl-[(1R,2S)-1-butyl-2-(methoxymethoxymethyl)cyclopropyl]stannane
CID 23660647
trans-(1R,2R)-1-hexyl-2-(methoxymethoxymethyl)cyclopropane
CID 134854828
(3R,7S)-1,9-bis(methoxymethoxy)-3,5,7-trimethylnonane
CID 134854869
(3S,5S,7R,9R)-1,11-bis(methoxymethoxy)-3,5,7,9-tetramethylundecane
CID 134970307
1-[(3,7-Dimethyloctyl)oxy]-1-methoxydecane
CID 3022843
(4R)-1-(methoxymethoxy)-4-methyldocosane
CID 15030408
1,1,1-Triethoxy-3,7-dimethyloctane
CID 20309002
8-[Bis(6,8-dimethylnonan-2-yloxy)methoxy]-2,4-dimethylnonane
CID 21983413
1-[Bis(2,6-dimethylnonoxy)methoxy]-2,6-dimethylnonane
CID 53962700
3-Methyl-1-[tris(3-methyldecoxy)methoxy]decane
CID 54022108

Frequently Asked Questions

What is the IUPAC name of tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane?
The IUPAC name of tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane (CID 134889001) is tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane.
What is the SMILES notation for tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane?
The canonical SMILES for tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane is CCCC[C@]1([Sn](CCCC)(CCCC)CCCC)[C@H](COCOC)[C@@H]1[Sn](CCCC)(CCCC)CCCC.
What is the InChIKey of tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane?
The InChIKey is FDAWRYIYDVKSIH-IJYJYDAPSA-N. The full InChI is InChI=1S/C10H18O2.6C4H9.2Sn/c1-3-4-5-9-6-10(9)7-12-8-11-2;6*1-3-4-2;;/h6,10H,3-5,7-8H2,1-2H3;6*1,3-4H2,2H3;;/t10-;;;;;;;;/m0......../s1.
What are the key properties of tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane?
tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane has a molecular weight of 750.37 g/mol, XLogP of 12.24, 27 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1S,2R,3S)-1-butyl-2-(methoxymethoxymethyl)-3-tributylstannylcyclopropyl]stannane is sourced from PubChem (CID 134889001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).