(5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane

C17H30BrSn- — CID 138976590

IUPAC(5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc[c-]1Br
InChIInChI=1S/C5H3Br.3C4H9.Sn/c6-5-3-1-2-4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;/q-1;;;;
InChIKeyRYKQXUYTDRWQHP-UHFFFAOYSA-N
MW433.04 g/mol
LogP6.22
Rot. Bonds10

About (5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane

(5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane (PubChem CID 138976590) has the molecular formula C17H30BrSn- and a molecular weight of 433.04 g/mol. Its IUPAC name is (5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane.

Molecular Properties

Compound Name(5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane
PubChem CID138976590
Molecular FormulaC17H30BrSn-
Molecular Weight433.04 g/mol
Exact Mass433.06
IUPAC Name(5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane
SMILESCCCC[Sn](CCCC)(CCCC)c1ccc[c-]1Br
InChIInChI=1S/C5H3Br.3C4H9.Sn/c6-5-3-1-2-4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;/q-1;;;;
InChIKeyRYKQXUYTDRWQHP-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.04
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane?
The IUPAC name of (5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane (CID 138976590) is (5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane.
What is the SMILES notation for (5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane?
The canonical SMILES for (5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane is CCCC[Sn](CCCC)(CCCC)c1ccc[c-]1Br.
What is the InChIKey of (5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane?
The InChIKey is RYKQXUYTDRWQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Br.3C4H9.Sn/c6-5-3-1-2-4-5;3*1-3-4-2;/h1-3H;3*1,3-4H2,2H3;/q-1;;;;.
What are the key properties of (5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane?
(5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane has a molecular weight of 433.04 g/mol, XLogP of 6.22, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromocyclopenta-1,3-dien-1-yl)-tributylstannane is sourced from PubChem (CID 138976590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).