[(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane

C17H34BrClSn — CID 11784726

IUPAC[(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(Br)=C\CCCCl
InChIInChI=1S/C5H7BrCl.3C4H9.Sn/c6-4-2-1-3-5-7;3*1-3-4-2;/h2H,1,3,5H2;3*1,3-4H2,2H3;
InChIKeyGRDJMAFQTHUPSY-UHFFFAOYSA-N
MW472.53 g/mol
LogP7.67
Rot. Bonds13

About [(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane

[(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane (PubChem CID 11784726) has the molecular formula C17H34BrClSn and a molecular weight of 472.53 g/mol. Its IUPAC name is [(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane.

Molecular Properties

Compound Name[(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane
PubChem CID11784726
Molecular FormulaC17H34BrClSn
Molecular Weight472.53 g/mol
Exact Mass472.06
IUPAC Name[(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)/C(Br)=C\CCCCl
InChIInChI=1S/C5H7BrCl.3C4H9.Sn/c6-4-2-1-3-5-7;3*1-3-4-2;/h2H,1,3,5H2;3*1,3-4H2,2H3;
InChIKeyGRDJMAFQTHUPSY-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.53
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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trimethyl-[(E)-1-tributylstannyloct-1-enyl]silane
CID 177468758
1-chlorobutane
CID 8005
(Z)-3-tributylstannylbut-2-en-1-ol
CID 11405747
1,2-dibromodec-2-ene
CID 54083778
1-chlorotridec-4-ene
CID 54390291
1,1-dibromotridec-1-ene
CID 14681915
tributyl-[(E)-1-butyltellanyloct-1-enyl]stannane
CID 10698547
(2E,4E)-3-methyl-4-tributylstannylhexa-2,4-dien-1-ol
CID 10668737
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
(Z)-1,2-dichlorohept-2-ene
CID 55302648

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane?
The IUPAC name of [(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane (CID 11784726) is [(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane.
What is the SMILES notation for [(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane?
The canonical SMILES for [(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane is CCCC[Sn](CCCC)(CCCC)/C(Br)=C\CCCCl.
What is the InChIKey of [(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane?
The InChIKey is GRDJMAFQTHUPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrCl.3C4H9.Sn/c6-4-2-1-3-5-7;3*1-3-4-2;/h2H,1,3,5H2;3*1,3-4H2,2H3;.
What are the key properties of [(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane?
[(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane has a molecular weight of 472.53 g/mol, XLogP of 7.67, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-bromo-5-chloropent-1-enyl]-tributylstannane is sourced from PubChem (CID 11784726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).