1,1-dibutyl-4-cyclohexyl-4-methoxystannine

C20H36OSn — CID 12506193

IUPAC1,1-dibutyl-4-cyclohexyl-4-methoxystannine
SMILESCCCC[Sn]1(CCCC)C=CC(OC)(C2CCCCC2)C=C1
InChIInChI=1S/C12H18O.2C4H9.Sn/c1-4-12(5-2,13-3)11-9-7-6-8-10-11;2*1-3-4-2;/h1-2,4-5,11H,6-10H2,3H3;2*1,3-4H2,2H3;
InChIKeyRPFWVAWUTVZRLR-UHFFFAOYSA-N
MW411.22 g/mol
LogP6.21
Rot. Bonds8

About 1,1-dibutyl-4-cyclohexyl-4-methoxystannine

1,1-dibutyl-4-cyclohexyl-4-methoxystannine (PubChem CID 12506193) has the molecular formula C20H36OSn and a molecular weight of 411.22 g/mol. Its IUPAC name is 1,1-dibutyl-4-cyclohexyl-4-methoxystannine.

Molecular Properties

Compound Name1,1-dibutyl-4-cyclohexyl-4-methoxystannine
PubChem CID12506193
Molecular FormulaC20H36OSn
Molecular Weight411.22 g/mol
Exact Mass412.18
IUPAC Name1,1-dibutyl-4-cyclohexyl-4-methoxystannine
SMILESCCCC[Sn]1(CCCC)C=CC(OC)(C2CCCCC2)C=C1
InChIInChI=1S/C12H18O.2C4H9.Sn/c1-4-12(5-2,13-3)11-9-7-6-8-10-11;2*1-3-4-2;/h1-2,4-5,11H,6-10H2,3H3;2*1,3-4H2,2H3;
InChIKeyRPFWVAWUTVZRLR-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.22
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12506200
1-Tert-butyl-4-cyclohexyl-4-methoxyphosphinine
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4-cyclohexyl-4-methoxy-1H-phosphinine
CID 134892330
2-[(3R)-hept-1-en-3-yl]oxypropan-2-ylcyclohexane
CID 117755258
[(Z)-1-cyclohexyl-1-methoxybut-2-enyl]cyclohexane
CID 141931235
6-(4-Ethylcyclohexyl)-3-methoxy-3-propylcyclohexene
CID 142741580
1-(1-Cyclohexyl-1-methoxyethyl)-3-propylcyclohexene
CID 144216753
5-[3-[(2-Methylpropan-2-yl)oxy]penta-1,4-dien-3-yl]tridecane
CID 150009891
3-Ethenyl-4-methyl-3-propan-2-yloxydodec-1-ene
CID 152535226
10-Ethenyl-10-(2-methylpropoxy)icosane
CID 157210164
3-Ethoxy-3,4-diethyldodec-1-ene
CID 157236735
4-Ethenyl-3-ethoxy-3-methyldodec-1-ene
CID 157452936

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutyl-4-cyclohexyl-4-methoxystannine?
The IUPAC name of 1,1-dibutyl-4-cyclohexyl-4-methoxystannine (CID 12506193) is 1,1-dibutyl-4-cyclohexyl-4-methoxystannine.
What is the SMILES notation for 1,1-dibutyl-4-cyclohexyl-4-methoxystannine?
The canonical SMILES for 1,1-dibutyl-4-cyclohexyl-4-methoxystannine is CCCC[Sn]1(CCCC)C=CC(OC)(C2CCCCC2)C=C1.
What is the InChIKey of 1,1-dibutyl-4-cyclohexyl-4-methoxystannine?
The InChIKey is RPFWVAWUTVZRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.2C4H9.Sn/c1-4-12(5-2,13-3)11-9-7-6-8-10-11;2*1-3-4-2;/h1-2,4-5,11H,6-10H2,3H3;2*1,3-4H2,2H3;.
What are the key properties of 1,1-dibutyl-4-cyclohexyl-4-methoxystannine?
1,1-dibutyl-4-cyclohexyl-4-methoxystannine has a molecular weight of 411.22 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutyl-4-cyclohexyl-4-methoxystannine is sourced from PubChem (CID 12506193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).