CID 160801900

C40H80O4Sn — CID 160801900

IUPAC—
SMILESCCCCCCCCCCCC(=O)OCCCCCCCC.CCCCCCCCCCCC(=O)OCCCCCCCC.[Sn]
InChIInChI=1S/2C20H40O2.Sn/c2*1-3-5-7-9-11-12-13-14-16-18-20(21)22-19-17-15-10-8-6-4-2;/h2*3-19H2,1-2H3;
InChIKeySDEJOFWFZCMBFX-UHFFFAOYSA-N
MW743.79 g/mol
LogP13.24
Rot. Bonds34

About CID 160801900

CID 160801900 (PubChem CID 160801900) has the molecular formula C40H80O4Sn and a molecular weight of 743.79 g/mol.

Molecular Properties

Compound NameCID 160801900
PubChem CID160801900
Molecular FormulaC40H80O4Sn
Molecular Weight743.79 g/mol
Exact Mass744.51
IUPAC Name—
SMILESCCCCCCCCCCCC(=O)OCCCCCCCC.CCCCCCCCCCCC(=O)OCCCCCCCC.[Sn]
InChIInChI=1S/2C20H40O2.Sn/c2*1-3-5-7-9-11-12-13-14-16-18-20(21)22-19-17-15-10-8-6-4-2;/h2*3-19H2,1-2H3;
InChIKeySDEJOFWFZCMBFX-UHFFFAOYSA-N
XLogP13.24
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds34
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.79
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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hexadecyl dotriacontanoate
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dioctyl hexanedioate
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Frequently Asked Questions

What is the IUPAC name of CID 160801900?
The IUPAC name of CID 160801900 (CID 160801900) is not available.
What is the SMILES notation for CID 160801900?
The canonical SMILES for CID 160801900 is CCCCCCCCCCCC(=O)OCCCCCCCC.CCCCCCCCCCCC(=O)OCCCCCCCC.[Sn].
What is the InChIKey of CID 160801900?
The InChIKey is SDEJOFWFZCMBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H40O2.Sn/c2*1-3-5-7-9-11-12-13-14-16-18-20(21)22-19-17-15-10-8-6-4-2;/h2*3-19H2,1-2H3;.
What are the key properties of CID 160801900?
CID 160801900 has a molecular weight of 743.79 g/mol, XLogP of 13.24, 34 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160801900 is sourced from PubChem (CID 160801900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).