CID 6328799

C22H37O4Sn — CID 6328799

IUPAC—
SMILESCC(=O)OC(C(=O)O)c1ccccc1.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C10H10O4.3C4H9.Sn/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;3*1-3-4-2;/h2-6,9H,1H3,(H,12,13);3*1,3-4H2,2H3;
InChIKeyMUJWHOCVYVJXHU-UHFFFAOYSA-N
MW484.25 g/mol
LogP6.26
Rot. Bonds12

About CID 6328799

CID 6328799 (PubChem CID 6328799) has the molecular formula C22H37O4Sn and a molecular weight of 484.25 g/mol.

Molecular Properties

Compound NameCID 6328799
PubChem CID6328799
Molecular FormulaC22H37O4Sn
Molecular Weight484.25 g/mol
Exact Mass485.17
IUPAC Name—
SMILESCC(=O)OC(C(=O)O)c1ccccc1.CCCC[Sn](CCCC)CCCC
InChIInChI=1S/C10H10O4.3C4H9.Sn/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;3*1-3-4-2;/h2-6,9H,1H3,(H,12,13);3*1,3-4H2,2H3;
InChIKeyMUJWHOCVYVJXHU-UHFFFAOYSA-N
XLogP6.26
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.25
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-1-phenylpentyl] acetate
CID 12651064
[2-oxo-1-phenyl-2-(propylamino)ethyl] acetate
CID 24834441
(2,3,3-trifluoro-1-phenylprop-2-enyl) acetate
CID 11984228
(2-ethylsulfanyl-2-oxo-1-phenylethyl) acetate
CID 12812078
acetyl (2R)-2-acetyloxy-2-phenylacetate
CID 57080873
2-[butyl(hydroxy)phosphoryl]oxy-2-phenylacetic acid
CID 18472838
[(8R)-8-[(2S)-2-acetyloxy-2-phenylacetyl]oxytetradecyl] (2S)-2-acetyloxy-2-phenylacetate
CID 10769595
(2R)-2-acetyloxy-2-(4-chlorophenyl)acetic acid
CID 86332935
methyl 2-[acetyloxy(phenyl)methyl]pentadec-2-enoate
CID 74953806
2-[9-[carboxy(phenyl)methoxy]-9-oxononanoyl]oxy-2-phenylacetic acid
CID 101455888
[(4R)-pentadec-1-en-4-yl] (2R)-2-acetyloxy-2-phenylacetate
CID 10001182
(2-oxo-1,2-diphenylethyl) acetate;1-phenylpropan-1-one
CID 174950193

Frequently Asked Questions

What is the IUPAC name of CID 6328799?
The IUPAC name of CID 6328799 (CID 6328799) is not available.
What is the SMILES notation for CID 6328799?
The canonical SMILES for CID 6328799 is CC(=O)OC(C(=O)O)c1ccccc1.CCCC[Sn](CCCC)CCCC.
What is the InChIKey of CID 6328799?
The InChIKey is MUJWHOCVYVJXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.3C4H9.Sn/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;3*1-3-4-2;/h2-6,9H,1H3,(H,12,13);3*1,3-4H2,2H3;.
What are the key properties of CID 6328799?
CID 6328799 has a molecular weight of 484.25 g/mol, XLogP of 6.26, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6328799 is sourced from PubChem (CID 6328799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).