(Z)-8-tributylstannyloct-6-enal

C20H40OSn — CID 134880733

IUPAC(Z)-8-tributylstannyloct-6-enal
SMILESCCCC[Sn](C/C=C\CCCCC=O)(CCCC)CCCC
InChIInChI=1S/C8H13O.3C4H9.Sn/c1-2-3-4-5-6-7-8-9;3*1-3-4-2;/h2-3,8H,1,4-7H2;3*1,3-4H2,2H3;/b3-2-;;;;
InChIKeyWWXYEIVLAMECPI-RFTJRDPSSA-N
MW415.25 g/mol
LogP7.15
Rot. Bonds16

About (Z)-8-tributylstannyloct-6-enal

(Z)-8-tributylstannyloct-6-enal (PubChem CID 134880733) has the molecular formula C20H40OSn and a molecular weight of 415.25 g/mol. Its IUPAC name is (Z)-8-tributylstannyloct-6-enal.

Molecular Properties

Compound Name(Z)-8-tributylstannyloct-6-enal
PubChem CID134880733
Molecular FormulaC20H40OSn
Molecular Weight415.25 g/mol
Exact Mass416.21
IUPAC Name(Z)-8-tributylstannyloct-6-enal
SMILESCCCC[Sn](C/C=C\CCCCC=O)(CCCC)CCCC
InChIInChI=1S/C8H13O.3C4H9.Sn/c1-2-3-4-5-6-7-8-9;3*1-3-4-2;/h2-3,8H,1,4-7H2;3*1,3-4H2,2H3;/b3-2-;;;;
InChIKeyWWXYEIVLAMECPI-RFTJRDPSSA-N
XLogP7.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.25
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6E,12E)-octadeca-6,12-dienal
CID 10220937
(E)-tetradec-7-enal
CID 5283367
tetracos-11-enal
CID 173212441
(E)-hexacos-17-enal
CID 20847611
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-octadec-13-enal
CID 5367670
(E)-octacos-19-enal
CID 25245229
(E)-octadec-8-enal
CID 5365013
(Z)-pentadec-6-enal
CID 10489351
hexadeca-7,11-dienal
CID 543335
(E)-octadec-14-enal
CID 5367669

Frequently Asked Questions

What is the IUPAC name of (Z)-8-tributylstannyloct-6-enal?
The IUPAC name of (Z)-8-tributylstannyloct-6-enal (CID 134880733) is (Z)-8-tributylstannyloct-6-enal.
What is the SMILES notation for (Z)-8-tributylstannyloct-6-enal?
The canonical SMILES for (Z)-8-tributylstannyloct-6-enal is CCCC[Sn](C/C=C\CCCCC=O)(CCCC)CCCC.
What is the InChIKey of (Z)-8-tributylstannyloct-6-enal?
The InChIKey is WWXYEIVLAMECPI-RFTJRDPSSA-N. The full InChI is InChI=1S/C8H13O.3C4H9.Sn/c1-2-3-4-5-6-7-8-9;3*1-3-4-2;/h2-3,8H,1,4-7H2;3*1,3-4H2,2H3;/b3-2-;;;;.
What are the key properties of (Z)-8-tributylstannyloct-6-enal?
(Z)-8-tributylstannyloct-6-enal has a molecular weight of 415.25 g/mol, XLogP of 7.15, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-tributylstannyloct-6-enal is sourced from PubChem (CID 134880733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).