CID 173066716

C20H39O3Sn — CID 173066716

IUPAC—
SMILESCCCCCCCCCCC(CCCCCCCC)C(=O)O[Sn]=O
InChIInChI=1S/C20H40O2.O.Sn/c1-3-5-7-9-11-12-14-16-18-19(20(21)22)17-15-13-10-8-6-4-2;;/h19H,3-18H2,1-2H3,(H,21,22);;/q;;+1/p-1
InChIKeyOCJRAMKRQUMOOD-UHFFFAOYSA-M
MW446.24 g/mol
LogP6.39
Rot. Bonds18

About CID 173066716

CID 173066716 (PubChem CID 173066716) has the molecular formula C20H39O3Sn and a molecular weight of 446.24 g/mol.

Molecular Properties

Compound NameCID 173066716
PubChem CID173066716
Molecular FormulaC20H39O3Sn
Molecular Weight446.24 g/mol
Exact Mass447.19
IUPAC Name—
SMILESCCCCCCCCCCC(CCCCCCCC)C(=O)O[Sn]=O
InChIInChI=1S/C20H40O2.O.Sn/c1-3-5-7-9-11-12-14-16-18-19(20(21)22)17-15-13-10-8-6-4-2;;/h19H,3-18H2,1-2H3,(H,21,22);;/q;;+1/p-1
InChIKeyOCJRAMKRQUMOOD-UHFFFAOYSA-M
XLogP6.39
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.24
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 173066597
CID 173066597
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
methyl 2-undecyltridecanoate
CID 176610383
undecyl 2-heptyltridecanoate
CID 174740301
undecyl 2-heptyldodecanoate
CID 174658610
decyl 2-octyltetradecanoate
CID 87368194
decyl 2-hexylpentadecanoate
CID 175318740
2-propylnonanoyl 2-propylnonanoate
CID 54359138
hexadecyl 2-hexylicosanoate
CID 87088758
tridecyl 2-hexadecylicosanoate
CID 159510432
decyl 2-hexyltetradecanoate
CID 57466026

Frequently Asked Questions

What is the IUPAC name of CID 173066716?
The IUPAC name of CID 173066716 (CID 173066716) is not available.
What is the SMILES notation for CID 173066716?
The canonical SMILES for CID 173066716 is CCCCCCCCCCC(CCCCCCCC)C(=O)O[Sn]=O.
What is the InChIKey of CID 173066716?
The InChIKey is OCJRAMKRQUMOOD-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H40O2.O.Sn/c1-3-5-7-9-11-12-14-16-18-19(20(21)22)17-15-13-10-8-6-4-2;;/h19H,3-18H2,1-2H3,(H,21,22);;/q;;+1/p-1.
What are the key properties of CID 173066716?
CID 173066716 has a molecular weight of 446.24 g/mol, XLogP of 6.39, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173066716 is sourced from PubChem (CID 173066716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).