tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane

C21H42Sn — CID 15263133

IUPACtributyl-[(E)-3-cyclohexylprop-2-enyl]stannane
SMILESCCCC[Sn](C/C=C/C1CCCCC1)(CCCC)CCCC
InChIInChI=1S/C9H15.3C4H9.Sn/c1-2-6-9-7-4-3-5-8-9;3*1-3-4-2;/h2,6,9H,1,3-5,7-8H2;3*1,3-4H2,2H3;/b6-2+;;;;
InChIKeyRVUASUFLXQEXPF-GGDCSFEBSA-N
MW413.28 g/mol
LogP7.97
Rot. Bonds12

About tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane

tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane (PubChem CID 15263133) has the molecular formula C21H42Sn and a molecular weight of 413.28 g/mol. Its IUPAC name is tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane.

Molecular Properties

Compound Nametributyl-[(E)-3-cyclohexylprop-2-enyl]stannane
PubChem CID15263133
Molecular FormulaC21H42Sn
Molecular Weight413.28 g/mol
Exact Mass414.23
IUPAC Nametributyl-[(E)-3-cyclohexylprop-2-enyl]stannane
SMILESCCCC[Sn](C/C=C/C1CCCCC1)(CCCC)CCCC
InChIInChI=1S/C9H15.3C4H9.Sn/c1-2-6-9-7-4-3-5-8-9;3*1-3-4-2;/h2,6,9H,1,3-5,7-8H2;3*1,3-4H2,2H3;/b6-2+;;;;
InChIKeyRVUASUFLXQEXPF-GGDCSFEBSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.28
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(-)-Cembrene A
CID 5281384
3-Methyl-1,2-didehydro-2,3-dihydrosqualene
CID 70679146
2,6,10,15,19,23-Hexamethyltetracosene
CID 6437646
Cyclohexene, 3-propyl-
CID 138092
Somaliensene B
CID 139589961
(R)-tetraprenyl-beta-curcumene
CID 57339299
Cembrene A (711293 K111)
CID 5384141
1,5,9-Cyclotetradecatriene, 13-isopropenyl-2,6,10-trimethyl-, (-)-
CID 11208039
3-Ethylcyclohex-1-ene
CID 137724
3-Butylcyclohex-1-ene
CID 138093
Cyclohexane, 1-propenyl-
CID 5358314
Tetracosene, 2,6,10,15,19,23-hexamethyl-
CID 111339

Frequently Asked Questions

What is the IUPAC name of tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane?
The IUPAC name of tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane (CID 15263133) is tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane.
What is the SMILES notation for tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane?
The canonical SMILES for tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane is CCCC[Sn](C/C=C/C1CCCCC1)(CCCC)CCCC.
What is the InChIKey of tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane?
The InChIKey is RVUASUFLXQEXPF-GGDCSFEBSA-N. The full InChI is InChI=1S/C9H15.3C4H9.Sn/c1-2-6-9-7-4-3-5-8-9;3*1-3-4-2;/h2,6,9H,1,3-5,7-8H2;3*1,3-4H2,2H3;/b6-2+;;;;.
What are the key properties of tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane?
tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane has a molecular weight of 413.28 g/mol, XLogP of 7.97, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(E)-3-cyclohexylprop-2-enyl]stannane is sourced from PubChem (CID 15263133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).