tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane

C20H36Sn — CID 11025666

IUPACtributyl-[2-(cyclohexen-1-yl)ethynyl]stannane
SMILESCCCC[Sn](C#CC1=CCCCC1)(CCCC)CCCC
InChIInChI=1S/C8H9.3C4H9.Sn/c1-2-8-6-4-3-5-7-8;3*1-3-4-2;/h6H,3-5,7H2;3*1,3-4H2,2H3;
InChIKeyRWFFGZCOQAPBHR-UHFFFAOYSA-N
MW395.22 g/mol
LogP6.88
Rot. Bonds9

About tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane

tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane (PubChem CID 11025666) has the molecular formula C20H36Sn and a molecular weight of 395.22 g/mol. Its IUPAC name is tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane.

Molecular Properties

Compound Nametributyl-[2-(cyclohexen-1-yl)ethynyl]stannane
PubChem CID11025666
Molecular FormulaC20H36Sn
Molecular Weight395.22 g/mol
Exact Mass396.18
IUPAC Nametributyl-[2-(cyclohexen-1-yl)ethynyl]stannane
SMILESCCCC[Sn](C#CC1=CCCCC1)(CCCC)CCCC
InChIInChI=1S/C8H9.3C4H9.Sn/c1-2-8-6-4-3-5-7-8;3*1-3-4-2;/h6H,3-5,7H2;3*1,3-4H2,2H3;
InChIKeyRWFFGZCOQAPBHR-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.22
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

Cembrene C
CID 14336535
1,1'-Ethyne-1,2-diyldicyclohexene
CID 235024
5,9,14,18,22-Pentamethyl-tricosa-5,9,13,17,21-pentaen-1-yne
CID 14544609
5,9,14,18-Tetramethyl-docosa-5,9,13,17-tetraene-1,21-diyne
CID 14544610
(1Z,5Z,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene
CID 90658459
Cyclohexene, 1-(1-propynyl)-
CID 577619
1-[4-(Cyclohexen-1-yl)buta-1,3-diynyl]cyclohexene
CID 9855843
1-Hex-1-ynyl-cyclohexene
CID 11147892
Hept-2-ynylidenecyclopentadecane
CID 86052684
Undecylcyclohexene
CID 85944562
2,6,10,15,19,23-Hexamethyltetracosa-1,6,10,14,18,22-hexaene
CID 90965893
3h-Squalene
CID 129653477

Frequently Asked Questions

What is the IUPAC name of tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane?
The IUPAC name of tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane (CID 11025666) is tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane.
What is the SMILES notation for tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane?
The canonical SMILES for tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane is CCCC[Sn](C#CC1=CCCCC1)(CCCC)CCCC.
What is the InChIKey of tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane?
The InChIKey is RWFFGZCOQAPBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9.3C4H9.Sn/c1-2-8-6-4-3-5-7-8;3*1-3-4-2;/h6H,3-5,7H2;3*1,3-4H2,2H3;.
What are the key properties of tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane?
tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane has a molecular weight of 395.22 g/mol, XLogP of 6.88, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[2-(cyclohexen-1-yl)ethynyl]stannane is sourced from PubChem (CID 11025666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).