tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane

C44H90OSn2 — CID 70441351

IUPACtributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1(OC2([Sn](CCCC)(CCCC)CCCC)CCCC(C)(C(C)C)C2)CCCC(C)(C(C)C)C1
InChIInChI=1S/C20H36O.6C4H9.2Sn/c1-15(2)19(5)11-7-9-17(13-19)21-18-10-8-12-20(6,14-18)16(3)4;6*1-3-4-2;;/h15-16H,7-14H2,1-6H3;6*1,3-4H2,2H3;;
InChIKeyJMMBYROKQZEOSO-UHFFFAOYSA-N
MW872.62 g/mol
LogP15.73
Rot. Bonds24

About tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane

tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane (PubChem CID 70441351) has the molecular formula C44H90OSn2 and a molecular weight of 872.62 g/mol. Its IUPAC name is tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane.

Molecular Properties

Compound Nametributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane
PubChem CID70441351
Molecular FormulaC44H90OSn2
Molecular Weight872.62 g/mol
Exact Mass874.50
IUPAC Nametributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane
SMILESCCCC[Sn](CCCC)(CCCC)C1(OC2([Sn](CCCC)(CCCC)CCCC)CCCC(C)(C(C)C)C2)CCCC(C)(C(C)C)C1
InChIInChI=1S/C20H36O.6C4H9.2Sn/c1-15(2)19(5)11-7-9-17(13-19)21-18-10-8-12-20(6,14-18)16(3)4;6*1-3-4-2;;/h15-16H,7-14H2,1-6H3;6*1,3-4H2,2H3;;
InChIKeyJMMBYROKQZEOSO-UHFFFAOYSA-N
XLogP15.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500872.62
LogP ≤ 515.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tributyl-(1-fluorocyclopropyl)stannane
CID 178118319
trimethyl-(3-methyl-3-tributylstannylcyclohexen-1-yl)oxysilane
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1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-(3,4-dimethylhexan-2-yl)-1-methylcyclobutane
CID 123463743
1-butan-2-yl-1-methylcyclobutane;ethane
CID 167444741
1,1-dibutoxycyclopentane
CID 18792031
1-butan-2-yl-1-methylcyclobutane;ethane;octanenitrile
CID 143325289
1-hexan-3-yl-1-methylcyclobutane
CID 91314067
1,1-dibutoxycyclooctane
CID 18791994
7-methyl-7-propan-2-ylspiro[3.5]nonane
CID 142824876
N-methyl-1-(1-methylcyclopentyl)pentan-1-amine
CID 115833048

Frequently Asked Questions

What is the IUPAC name of tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane?
The IUPAC name of tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane (CID 70441351) is tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane.
What is the SMILES notation for tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane?
The canonical SMILES for tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane is CCCC[Sn](CCCC)(CCCC)C1(OC2([Sn](CCCC)(CCCC)CCCC)CCCC(C)(C(C)C)C2)CCCC(C)(C(C)C)C1.
What is the InChIKey of tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane?
The InChIKey is JMMBYROKQZEOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O.6C4H9.2Sn/c1-15(2)19(5)11-7-9-17(13-19)21-18-10-8-12-20(6,14-18)16(3)4;6*1-3-4-2;;/h15-16H,7-14H2,1-6H3;6*1,3-4H2,2H3;;.
What are the key properties of tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane?
tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane has a molecular weight of 872.62 g/mol, XLogP of 15.73, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[3-methyl-1-(3-methyl-3-propan-2-yl-1-tributylstannylcyclohexyl)oxy-3-propan-2-ylcyclohexyl]stannane is sourced from PubChem (CID 70441351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).