CID 67581548

C24H45Sn — CID 67581548

IUPAC—
SMILESCCCC[Sn](CCCC)CCCC.CCCCc1cccc(C)c1C
InChIInChI=1S/C12H18.3C4H9.Sn/c1-4-5-8-12-9-6-7-10(2)11(12)3;3*1-3-4-2;/h6-7,9H,4-5,8H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyIYMSYWRVVUJBAF-UHFFFAOYSA-N
MW452.34 g/mol
LogP8.53
Rot. Bonds12

About CID 67581548

CID 67581548 (PubChem CID 67581548) has the molecular formula C24H45Sn and a molecular weight of 452.34 g/mol.

Molecular Properties

Compound NameCID 67581548
PubChem CID67581548
Molecular FormulaC24H45Sn
Molecular Weight452.34 g/mol
Exact Mass453.25
IUPAC Name—
SMILESCCCC[Sn](CCCC)CCCC.CCCCc1cccc(C)c1C
InChIInChI=1S/C12H18.3C4H9.Sn/c1-4-5-8-12-9-6-7-10(2)11(12)3;3*1-3-4-2;/h6-7,9H,4-5,8H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyIYMSYWRVVUJBAF-UHFFFAOYSA-N
XLogP8.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 67581548?
The IUPAC name of CID 67581548 (CID 67581548) is not available.
What is the SMILES notation for CID 67581548?
The canonical SMILES for CID 67581548 is CCCC[Sn](CCCC)CCCC.CCCCc1cccc(C)c1C.
What is the InChIKey of CID 67581548?
The InChIKey is IYMSYWRVVUJBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.3C4H9.Sn/c1-4-5-8-12-9-6-7-10(2)11(12)3;3*1-3-4-2;/h6-7,9H,4-5,8H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of CID 67581548?
CID 67581548 has a molecular weight of 452.34 g/mol, XLogP of 8.53, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67581548 is sourced from PubChem (CID 67581548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).