bis(8-chlorooct-6-enyl)-oxotin

C16H28Cl2OSn — CID 71334265

IUPACbis(8-chlorooct-6-enyl)-oxotin
SMILESO=[Sn](CCCCCC=CCCl)CCCCCC=CCCl
InChIInChI=1S/2C8H14Cl.O.Sn/c2*1-2-3-4-5-6-7-8-9;;/h2*6-7H,1-5,8H2;;
InChIKeyZLCIOCZGNLHITM-UHFFFAOYSA-N
MW426.02 g/mol
LogP6.12
Rot. Bonds14

About bis(8-chlorooct-6-enyl)-oxotin

bis(8-chlorooct-6-enyl)-oxotin (PubChem CID 71334265) has the molecular formula C16H28Cl2OSn and a molecular weight of 426.02 g/mol. Its IUPAC name is bis(8-chlorooct-6-enyl)-oxotin.

Molecular Properties

Compound Namebis(8-chlorooct-6-enyl)-oxotin
PubChem CID71334265
Molecular FormulaC16H28Cl2OSn
Molecular Weight426.02 g/mol
Exact Mass426.05
IUPAC Namebis(8-chlorooct-6-enyl)-oxotin
SMILESO=[Sn](CCCCCC=CCCl)CCCCCC=CCCl
InChIInChI=1S/2C8H14Cl.O.Sn/c2*1-2-3-4-5-6-7-8-9;;/h2*6-7H,1-5,8H2;;
InChIKeyZLCIOCZGNLHITM-UHFFFAOYSA-N
XLogP6.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.02
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-12-chlorododeca-2,10-diene
CID 74322485
1,12-dichlorododec-2-ene
CID 171472140
1-chloro-12-iodododec-2-ene
CID 171472192
1-chlorotritriacont-2-ene
CID 173457844
(E)-11-chloroundec-9-enoic acid
CID 134246833
1,17-dichloroheptadec-8-ene
CID 168864753
6-bromo-1-chlorohex-2-ene
CID 171472345
1-chloro-9-iodonona-2,7-diene
CID 74322498
(E)-1,10-dichlorodec-5-ene
CID 12889943
methyl 7-chlorohept-5-enoate
CID 54573393
(1E,5E)-1,7-dichlorohepta-1,5-diene
CID 55303187
1-chlorotridec-4-ene
CID 54390291

Frequently Asked Questions

What is the IUPAC name of bis(8-chlorooct-6-enyl)-oxotin?
The IUPAC name of bis(8-chlorooct-6-enyl)-oxotin (CID 71334265) is bis(8-chlorooct-6-enyl)-oxotin.
What is the SMILES notation for bis(8-chlorooct-6-enyl)-oxotin?
The canonical SMILES for bis(8-chlorooct-6-enyl)-oxotin is O=[Sn](CCCCCC=CCCl)CCCCCC=CCCl.
What is the InChIKey of bis(8-chlorooct-6-enyl)-oxotin?
The InChIKey is ZLCIOCZGNLHITM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H14Cl.O.Sn/c2*1-2-3-4-5-6-7-8-9;;/h2*6-7H,1-5,8H2;;.
What are the key properties of bis(8-chlorooct-6-enyl)-oxotin?
bis(8-chlorooct-6-enyl)-oxotin has a molecular weight of 426.02 g/mol, XLogP of 6.12, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(8-chlorooct-6-enyl)-oxotin is sourced from PubChem (CID 71334265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).