CID 150343713

C20H27O2Sn — CID 150343713

IUPAC—
SMILESCCCC[Sn](OCCc1ccccc1)OCCc1ccccc1
InChIInChI=1S/2C8H9O.C4H9.Sn/c2*9-7-6-8-4-2-1-3-5-8;1-3-4-2;/h2*1-5H,6-7H2;1,3-4H2,2H3;/q2*-1;;+2
InChIKeyGSFXZMLEBZTPHI-UHFFFAOYSA-N
MW418.15 g/mol
LogP4.79
Rot. Bonds11

About CID 150343713

CID 150343713 (PubChem CID 150343713) has the molecular formula C20H27O2Sn and a molecular weight of 418.15 g/mol.

Molecular Properties

Compound NameCID 150343713
PubChem CID150343713
Molecular FormulaC20H27O2Sn
Molecular Weight418.15 g/mol
Exact Mass419.10
IUPAC Name—
SMILESCCCC[Sn](OCCc1ccccc1)OCCc1ccccc1
InChIInChI=1S/2C8H9O.C4H9.Sn/c2*9-7-6-8-4-2-1-3-5-8;1-3-4-2;/h2*1-5H,6-7H2;1,3-4H2,2H3;/q2*-1;;+2
InChIKeyGSFXZMLEBZTPHI-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.15
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-pentoxy-2-phenylethanamine
CID 57075178

Frequently Asked Questions

What is the IUPAC name of CID 150343713?
The IUPAC name of CID 150343713 (CID 150343713) is not available.
What is the SMILES notation for CID 150343713?
The canonical SMILES for CID 150343713 is CCCC[Sn](OCCc1ccccc1)OCCc1ccccc1.
What is the InChIKey of CID 150343713?
The InChIKey is GSFXZMLEBZTPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H9O.C4H9.Sn/c2*9-7-6-8-4-2-1-3-5-8;1-3-4-2;/h2*1-5H,6-7H2;1,3-4H2,2H3;/q2*-1;;+2.
What are the key properties of CID 150343713?
CID 150343713 has a molecular weight of 418.15 g/mol, XLogP of 4.79, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 150343713 is sourced from PubChem (CID 150343713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).