CID 176952779

C18H24NO5Sn — CID 176952779

IUPAC—
SMILESCC(=O)O[C@@H]1[C@@H](OC(=O)OC(C)(C)C)CN[C@@H]1Cc1ccc([Sn])cc1
InChIInChI=1S/C18H24NO5.Sn/c1-12(20)22-16-14(10-13-8-6-5-7-9-13)19-11-15(16)23-17(21)24-18(2,3)4;/h6-9,14-16,19H,10-11H2,1-4H3;/t14-,15+,16+;/m1./s1
InChIKeyZGZKHOCDMHYPHP-BZSDZJHCSA-N
MW453.10 g/mol
LogP1.25
Rot. Bonds4

About CID 176952779

CID 176952779 (PubChem CID 176952779) has the molecular formula C18H24NO5Sn and a molecular weight of 453.10 g/mol.

Molecular Properties

Compound NameCID 176952779
PubChem CID176952779
Molecular FormulaC18H24NO5Sn
Molecular Weight453.10 g/mol
Exact Mass454.07
IUPAC Name—
SMILESCC(=O)O[C@@H]1[C@@H](OC(=O)OC(C)(C)C)CN[C@@H]1Cc1ccc([Sn])cc1
InChIInChI=1S/C18H24NO5.Sn/c1-12(20)22-16-14(10-13-8-6-5-7-9-13)19-11-15(16)23-17(21)24-18(2,3)4;/h6-9,14-16,19H,10-11H2,1-4H3;/t14-,15+,16+;/m1./s1
InChIKeyZGZKHOCDMHYPHP-BZSDZJHCSA-N
XLogP1.25
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.10
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 176952779?
The IUPAC name of CID 176952779 (CID 176952779) is not available.
What is the SMILES notation for CID 176952779?
The canonical SMILES for CID 176952779 is CC(=O)O[C@@H]1[C@@H](OC(=O)OC(C)(C)C)CN[C@@H]1Cc1ccc([Sn])cc1.
What is the InChIKey of CID 176952779?
The InChIKey is ZGZKHOCDMHYPHP-BZSDZJHCSA-N. The full InChI is InChI=1S/C18H24NO5.Sn/c1-12(20)22-16-14(10-13-8-6-5-7-9-13)19-11-15(16)23-17(21)24-18(2,3)4;/h6-9,14-16,19H,10-11H2,1-4H3;/t14-,15+,16+;/m1./s1.
What are the key properties of CID 176952779?
CID 176952779 has a molecular weight of 453.10 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176952779 is sourced from PubChem (CID 176952779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).