tributyl-(2-phenylcyclohexen-1-yl)oxystannane

C24H40OSn — CID 16688468

IUPACtributyl-(2-phenylcyclohexen-1-yl)oxystannane
SMILESCCCC[Sn](CCCC)(CCCC)OC1=C(c2ccccc2)CCCC1
InChIInChI=1S/C12H14O.3C4H9.Sn/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;3*1-3-4-2;/h1-3,6-7,13H,4-5,8-9H2;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyQARPWYGZIJYDSJ-UHFFFAOYSA-M
MW463.29 g/mol
LogP8.33
Rot. Bonds12

About tributyl-(2-phenylcyclohexen-1-yl)oxystannane

tributyl-(2-phenylcyclohexen-1-yl)oxystannane (PubChem CID 16688468) has the molecular formula C24H40OSn and a molecular weight of 463.29 g/mol. Its IUPAC name is tributyl-(2-phenylcyclohexen-1-yl)oxystannane.

Molecular Properties

Compound Nametributyl-(2-phenylcyclohexen-1-yl)oxystannane
PubChem CID16688468
Molecular FormulaC24H40OSn
Molecular Weight463.29 g/mol
Exact Mass464.21
IUPAC Nametributyl-(2-phenylcyclohexen-1-yl)oxystannane
SMILESCCCC[Sn](CCCC)(CCCC)OC1=C(c2ccccc2)CCCC1
InChIInChI=1S/C12H14O.3C4H9.Sn/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;3*1-3-4-2;/h1-3,6-7,13H,4-5,8-9H2;3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyQARPWYGZIJYDSJ-UHFFFAOYSA-M
XLogP8.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.29
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze tributyl-(2-phenylcyclohexen-1-yl)oxystannane 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-(2-nonylphenoxy)stannane
CID 16684544
(1Z)-1,2-diphenylcyclododecene
CID 5378897
(2-decylcyclobuten-1-yl)benzene
CID 10825946
(4-butyl-2-phenylcyclopenta-1,3-dien-1-yl)benzene
CID 101414477
1,1'-biphenyl;hexadecane
CID 173308514
ethyl 2-phenylcyclohexene-1-carboxylate
CID 15667923
sulfane;bis(tributyl(phenyl)stannane)
CID 67835272
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-pentadecyl-4-phenylbenzene
CID 57166115
tributyl-[(E)-2-phenylprop-1-enoxy]stannane
CID 16704522
[(1Z,3E)-4-ethyl-2,3-diphenylcycloocta-1,3-dien-1-yl] formate
CID 175047118
1-ethyl-2,3-dimethyl-4-[(2-phenylcyclohexen-1-yl)methoxy]benzene
CID 162702470

Frequently Asked Questions

What is the IUPAC name of tributyl-(2-phenylcyclohexen-1-yl)oxystannane?
The IUPAC name of tributyl-(2-phenylcyclohexen-1-yl)oxystannane (CID 16688468) is tributyl-(2-phenylcyclohexen-1-yl)oxystannane.
What is the SMILES notation for tributyl-(2-phenylcyclohexen-1-yl)oxystannane?
The canonical SMILES for tributyl-(2-phenylcyclohexen-1-yl)oxystannane is CCCC[Sn](CCCC)(CCCC)OC1=C(c2ccccc2)CCCC1.
What is the InChIKey of tributyl-(2-phenylcyclohexen-1-yl)oxystannane?
The InChIKey is QARPWYGZIJYDSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H14O.3C4H9.Sn/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;3*1-3-4-2;/h1-3,6-7,13H,4-5,8-9H2;3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributyl-(2-phenylcyclohexen-1-yl)oxystannane?
tributyl-(2-phenylcyclohexen-1-yl)oxystannane has a molecular weight of 463.29 g/mol, XLogP of 8.33, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-(2-phenylcyclohexen-1-yl)oxystannane is sourced from PubChem (CID 16688468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).