[(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide

C26H52BrNSn — CID 10951975

IUPAC[(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1CCC[N+]1(CC=C(C)C)CC=C(C)C.[Br-]
InChIInChI=1S/C14H25N.3C4H9.BrH.Sn/c1-13(2)7-11-15(9-5-6-10-15)12-8-14(3)4;3*1-3-4-2;;/h7-9H,5-6,10-12H2,1-4H3;3*1,3-4H2,2H3;1H;/q+1;;;;;/p-1
InChIKeySVCPGENCWCPSPS-UHFFFAOYSA-M
MW577.32 g/mol
LogP5.29
Rot. Bonds14

About [(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide

[(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide (PubChem CID 10951975) has the molecular formula C26H52BrNSn and a molecular weight of 577.32 g/mol. Its IUPAC name is [(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide.

Molecular Properties

Compound Name[(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide
PubChem CID10951975
Molecular FormulaC26H52BrNSn
Molecular Weight577.32 g/mol
Exact Mass577.23
IUPAC Name[(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide
SMILESCCCC[Sn](CCCC)(CCCC)[C@H]1CCC[N+]1(CC=C(C)C)CC=C(C)C.[Br-]
InChIInChI=1S/C14H25N.3C4H9.BrH.Sn/c1-13(2)7-11-15(9-5-6-10-15)12-8-14(3)4;3*1-3-4-2;;/h7-9H,5-6,10-12H2,1-4H3;3*1,3-4H2,2H3;1H;/q+1;;;;;/p-1
InChIKeySVCPGENCWCPSPS-UHFFFAOYSA-M
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.32
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide?
The IUPAC name of [(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide (CID 10951975) is [(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide.
What is the SMILES notation for [(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide?
The canonical SMILES for [(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide is CCCC[Sn](CCCC)(CCCC)[C@H]1CCC[N+]1(CC=C(C)C)CC=C(C)C.[Br-].
What is the InChIKey of [(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide?
The InChIKey is SVCPGENCWCPSPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H25N.3C4H9.BrH.Sn/c1-13(2)7-11-15(9-5-6-10-15)12-8-14(3)4;3*1-3-4-2;;/h7-9H,5-6,10-12H2,1-4H3;3*1,3-4H2,2H3;1H;/q+1;;;;;/p-1.
What are the key properties of [(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide?
[(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide has a molecular weight of 577.32 g/mol, XLogP of 5.29, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1,1-bis(3-methylbut-2-enyl)pyrrolidin-1-ium-2-yl]-tributylstannane bromide is sourced from PubChem (CID 10951975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).