bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin

C16H22Sn — CID 174160021

IUPACbis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin
SMILESCC(C)C1=C([Sn]C2=C(C(C)C)C=CC2)CC=C1
InChIInChI=1S/2C8H11.Sn/c2*1-7(2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;
InChIKeyWOCRNEJRRVINAM-UHFFFAOYSA-N
MW333.06 g/mol
LogP4.43
Rot. Bonds4

About bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin

bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin (PubChem CID 174160021) has the molecular formula C16H22Sn and a molecular weight of 333.06 g/mol. Its IUPAC name is bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin.

Molecular Properties

Compound Namebis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin
PubChem CID174160021
Molecular FormulaC16H22Sn
Molecular Weight333.06 g/mol
Exact Mass334.07
IUPAC Namebis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin
SMILESCC(C)C1=C([Sn]C2=C(C(C)C)C=CC2)CC=C1
InChIInChI=1S/2C8H11.Sn/c2*1-7(2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;
InChIKeyWOCRNEJRRVINAM-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.06
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin?
The IUPAC name of bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin (CID 174160021) is bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin.
What is the SMILES notation for bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin?
The canonical SMILES for bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin is CC(C)C1=C([Sn]C2=C(C(C)C)C=CC2)CC=C1.
What is the InChIKey of bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin?
The InChIKey is WOCRNEJRRVINAM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11.Sn/c2*1-7(2)8-5-3-4-6-8;/h2*3,5,7H,4H2,1-2H3;.
What are the key properties of bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin?
bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin has a molecular weight of 333.06 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-propan-2-ylcyclopenta-1,3-dien-1-yl)tin is sourced from PubChem (CID 174160021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).