tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane

C27H54OSn — CID 134889018

IUPACtributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane
SMILESCCCC[C@]1([Sn](CCCC)(CCCC)CCCC)C[C@H]1C(OC)C1CCCCC1
InChIInChI=1S/C15H27O.3C4H9.Sn/c1-3-4-8-13-11-14(13)15(16-2)12-9-6-5-7-10-12;3*1-3-4-2;/h12,14-15H,3-11H2,1-2H3;3*1,3-4H2,2H3;/t14-,15?;;;;/m1..../s1
InChIKeyWIAUYYRJYCJMFI-JRUYCRMMSA-N
MW513.44 g/mol
LogP9.38
Rot. Bonds16

About tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane

tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane (PubChem CID 134889018) has the molecular formula C27H54OSn and a molecular weight of 513.44 g/mol. Its IUPAC name is tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane.

Molecular Properties

Compound Nametributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane
PubChem CID134889018
Molecular FormulaC27H54OSn
Molecular Weight513.44 g/mol
Exact Mass514.32
IUPAC Nametributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane
SMILESCCCC[C@]1([Sn](CCCC)(CCCC)CCCC)C[C@H]1C(OC)C1CCCCC1
InChIInChI=1S/C15H27O.3C4H9.Sn/c1-3-4-8-13-11-14(13)15(16-2)12-9-6-5-7-10-12;3*1-3-4-2;/h12,14-15H,3-11H2,1-2H3;3*1,3-4H2,2H3;/t14-,15?;;;;/m1..../s1
InChIKeyWIAUYYRJYCJMFI-JRUYCRMMSA-N
XLogP9.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.44
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl-[cyclohexyl(1-methoxyethoxy)methyl]stannane
CID 11134330
[(1R,2S)-2-[(R)-cyclohexyl(methoxy)methyl]-1-trimethylsilylcyclopropyl]methanol
CID 15638408
1-(dimethoxymethoxy)nonylcyclohexane
CID 151905093
3,5-dimethylnonan-2-ylcycloheptane
CID 123664073
1-cyclopropylpentylcycloheptane
CID 91177068
dibutyl-(1-cyclohexylbutyl)-methylstannane
CID 150183423
tributyl-[cyclohexyl(methoxy)methyl]plumbane
CID 14761896
tributyl-[cyclopropyl(methoxy)methyl]stannane
CID 68528396
(1R,2R,3R,4S,5S,6R)-1-[(S)-cyclohexyl(hydroxy)methyl]-2,4-dimethyl-6-tributylstannyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 15970807
(1S,2R)-1-cyclohexyl-2-(dimethoxymethyl)heptan-1-ol
CID 101356312
N-[cyclohexyl(tributylstannyl)methyl]butan-1-amine
CID 11026878
1-butyl-1-cycloheptylcycloheptane
CID 140610618

Frequently Asked Questions

What is the IUPAC name of tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane?
The IUPAC name of tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane (CID 134889018) is tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane.
What is the SMILES notation for tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane?
The canonical SMILES for tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane is CCCC[C@]1([Sn](CCCC)(CCCC)CCCC)C[C@H]1C(OC)C1CCCCC1.
What is the InChIKey of tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane?
The InChIKey is WIAUYYRJYCJMFI-JRUYCRMMSA-N. The full InChI is InChI=1S/C15H27O.3C4H9.Sn/c1-3-4-8-13-11-14(13)15(16-2)12-9-6-5-7-10-12;3*1-3-4-2;/h12,14-15H,3-11H2,1-2H3;3*1,3-4H2,2H3;/t14-,15?;;;;/m1..../s1.
What are the key properties of tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane?
tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane has a molecular weight of 513.44 g/mol, XLogP of 9.38, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(1S,2S)-1-butyl-2-[cyclohexyl(methoxy)methyl]cyclopropyl]stannane is sourced from PubChem (CID 134889018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).