CID 88667856

C23H45O4Sn — CID 88667856

IUPAC—
SMILESCCCCC(CC)COC(=O)CC[Sn](C)CCC(=O)OCC(CC)CCCC
InChIInChI=1S/2C11H21O2.CH3.Sn/c2*1-4-7-8-10(5-2)9-13-11(12)6-3;;/h2*10H,3-9H2,1-2H3;1H3;
InChIKeyZUGSGIYDNUYBOO-UHFFFAOYSA-N
MW504.32 g/mol
LogP6.41
Rot. Bonds18

About CID 88667856

CID 88667856 (PubChem CID 88667856) has the molecular formula C23H45O4Sn and a molecular weight of 504.32 g/mol.

Molecular Properties

Compound NameCID 88667856
PubChem CID88667856
Molecular FormulaC23H45O4Sn
Molecular Weight504.32 g/mol
Exact Mass505.23
IUPAC Name—
SMILESCCCCC(CC)COC(=O)CC[Sn](C)CCC(=O)OCC(CC)CCCC
InChIInChI=1S/2C11H21O2.CH3.Sn/c2*1-4-7-8-10(5-2)9-13-11(12)6-3;;/h2*10H,3-9H2,1-2H3;1H3;
InChIKeyZUGSGIYDNUYBOO-UHFFFAOYSA-N
XLogP6.41
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.32
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis[(2R)-2-ethylhexyl] nonanedioate
CID 25113357
bis(2-ethylhexyl) nonanedioate
CID 7642
[(2R)-2-ethylhexyl] 3-sulfanylpropanoate
CID 76958586
2-ethylhexyl 4-methylpentanoate
CID 134988368
1-O,3-O-bis[(2R)-2-ethylhexyl] 5-O-[(2S)-2-ethylhexyl] pentane-1,3,5-tricarboxylate
CID 124824126
2-ethylhexyl 9-ethyloctadecanoate
CID 166859369
2-ethylhexyl 5-methylhexanoate
CID 129117635
2-ethylhexyl 9-(octadecanoyloxymethyl)octadecanoate
CID 146576807
copper(1+);3-(2-ethylhexoxy)-3-oxopropane-1-thiolate
CID 19918707
bis[3-(2-ethylhexoxy)-3-oxopropyl]tin
CID 88790346
2-ethylhexadecyl octadecanoate
CID 23363420
2-ethylundecyl nonanoate
CID 176969573

Frequently Asked Questions

What is the IUPAC name of CID 88667856?
The IUPAC name of CID 88667856 (CID 88667856) is not available.
What is the SMILES notation for CID 88667856?
The canonical SMILES for CID 88667856 is CCCCC(CC)COC(=O)CC[Sn](C)CCC(=O)OCC(CC)CCCC.
What is the InChIKey of CID 88667856?
The InChIKey is ZUGSGIYDNUYBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H21O2.CH3.Sn/c2*1-4-7-8-10(5-2)9-13-11(12)6-3;;/h2*10H,3-9H2,1-2H3;1H3;.
What are the key properties of CID 88667856?
CID 88667856 has a molecular weight of 504.32 g/mol, XLogP of 6.41, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88667856 is sourced from PubChem (CID 88667856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).