tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane

C21H44OSn — CID 10788799

IUPACtributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)CC1(C)CC(OC)CC1C
InChIInChI=1S/C9H17O.3C4H9.Sn/c1-7-5-8(10-4)6-9(7,2)3;3*1-3-4-2;/h7-8H,2,5-6H2,1,3-4H3;3*1,3-4H2,2H3;
InChIKeyURYBLYQSADJLBQ-UHFFFAOYSA-N
MW431.29 g/mol
LogP7.29
Rot. Bonds12

About tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane

tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane (PubChem CID 10788799) has the molecular formula C21H44OSn and a molecular weight of 431.29 g/mol. Its IUPAC name is tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane.

Molecular Properties

Compound Nametributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane
PubChem CID10788799
Molecular FormulaC21H44OSn
Molecular Weight431.29 g/mol
Exact Mass432.24
IUPAC Nametributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)CC1(C)CC(OC)CC1C
InChIInChI=1S/C9H17O.3C4H9.Sn/c1-7-5-8(10-4)6-9(7,2)3;3*1-3-4-2;/h7-8H,2,5-6H2,1,3-4H3;3*1,3-4H2,2H3;
InChIKeyURYBLYQSADJLBQ-UHFFFAOYSA-N
XLogP7.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.29
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-dimethyl (3S,4S)-4-ethenyl-3-methyl-3-(tributylstannylmethyl)cyclopentane-1,1-dicarboxylate
CID 177495904
tetrabutylstannane
CID 160899301
(4-methoxy-1,2-dimethylcyclopentyl)methylsulfonylbenzene
CID 10802875
tributyl(hexadecyl)stannane
CID 174658060
tetrabutylstannane;hydrate
CID 87560971
butyl(trioctyl)stannane;hydrochloride
CID 175572560
heptane;methoxymethane;methylcyclobutane
CID 168881474
heptane;methoxycyclopentane
CID 131735357
diheptyl(dioctyl)stannane
CID 152736724
1,1-dimethyl-2-octylcyclopropane
CID 15329257
propane;trans-(1S,3S)-1-methoxy-3-methylcyclopentane
CID 144913031
(1R)-1-ethyl-1,2-dimethylcyclopropane
CID 177128711

Frequently Asked Questions

What is the IUPAC name of tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane?
The IUPAC name of tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane (CID 10788799) is tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane.
What is the SMILES notation for tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane?
The canonical SMILES for tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane is CCCC[Sn](CCCC)(CCCC)CC1(C)CC(OC)CC1C.
What is the InChIKey of tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane?
The InChIKey is URYBLYQSADJLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O.3C4H9.Sn/c1-7-5-8(10-4)6-9(7,2)3;3*1-3-4-2;/h7-8H,2,5-6H2,1,3-4H3;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane?
tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane has a molecular weight of 431.29 g/mol, XLogP of 7.29, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(4-methoxy-1,2-dimethylcyclopentyl)methyl]stannane is sourced from PubChem (CID 10788799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).