CID 175760114

C13H18O2Sn — CID 175760114

IUPAC—
SMILESCC(C)Cc1ccc(C(C)C(=O)O)cc1.[Sn]
InChIInChI=1S/C13H18O2.Sn/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);
InChIKeyFLZFJDQPBKGENW-UHFFFAOYSA-N
MW325.00 g/mol
LogP2.69
Rot. Bonds4

About CID 175760114

CID 175760114 (PubChem CID 175760114) has the molecular formula C13H18O2Sn and a molecular weight of 325.00 g/mol.

Molecular Properties

Compound NameCID 175760114
PubChem CID175760114
Molecular FormulaC13H18O2Sn
Molecular Weight325.00 g/mol
Exact Mass326.03
IUPAC Name—
SMILESCC(C)Cc1ccc(C(C)C(=O)O)cc1.[Sn]
InChIInChI=1S/C13H18O2.Sn/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);
InChIKeyFLZFJDQPBKGENW-UHFFFAOYSA-N
XLogP2.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.00
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 175760114?
The IUPAC name of CID 175760114 (CID 175760114) is not available.
What is the SMILES notation for CID 175760114?
The canonical SMILES for CID 175760114 is CC(C)Cc1ccc(C(C)C(=O)O)cc1.[Sn].
What is the InChIKey of CID 175760114?
The InChIKey is FLZFJDQPBKGENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.Sn/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);.
What are the key properties of CID 175760114?
CID 175760114 has a molecular weight of 325.00 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175760114 is sourced from PubChem (CID 175760114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).