CID 69418950

C29H62O5Sn2 — CID 69418950

IUPAC—
SMILESCCCC[Sn](CCCC)OC(CCCC)(CCCC)CC[Sn](OCCOC(C)C)OCCOC(C)C
InChIInChI=1S/C11H22O.2C5H11O2.2C4H9.2Sn/c1-4-7-9-11(12,6-3)10-8-5-2;2*1-5(2)7-4-3-6;2*1-3-4-2;;/h3-10H2,1-2H3;2*5H,3-4H2,1-2H3;2*1,3-4H2,2H3;;/q3*-1;;;+1;+2
InChIKeyNVSAGUQFNDRYKW-UHFFFAOYSA-N
MW728.23 g/mol
LogP8.48
Rot. Bonds27

About CID 69418950

CID 69418950 (PubChem CID 69418950) has the molecular formula C29H62O5Sn2 and a molecular weight of 728.23 g/mol.

Molecular Properties

Compound NameCID 69418950
PubChem CID69418950
Molecular FormulaC29H62O5Sn2
Molecular Weight728.23 g/mol
Exact Mass730.26
IUPAC Name—
SMILESCCCC[Sn](CCCC)OC(CCCC)(CCCC)CC[Sn](OCCOC(C)C)OCCOC(C)C
InChIInChI=1S/C11H22O.2C5H11O2.2C4H9.2Sn/c1-4-7-9-11(12,6-3)10-8-5-2;2*1-5(2)7-4-3-6;2*1-3-4-2;;/h3-10H2,1-2H3;2*5H,3-4H2,1-2H3;2*1,3-4H2,2H3;;/q3*-1;;;+1;+2
InChIKeyNVSAGUQFNDRYKW-UHFFFAOYSA-N
XLogP8.48
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds27
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.23
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 69418950?
The IUPAC name of CID 69418950 (CID 69418950) is not available.
What is the SMILES notation for CID 69418950?
The canonical SMILES for CID 69418950 is CCCC[Sn](CCCC)OC(CCCC)(CCCC)CC[Sn](OCCOC(C)C)OCCOC(C)C.
What is the InChIKey of CID 69418950?
The InChIKey is NVSAGUQFNDRYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O.2C5H11O2.2C4H9.2Sn/c1-4-7-9-11(12,6-3)10-8-5-2;2*1-5(2)7-4-3-6;2*1-3-4-2;;/h3-10H2,1-2H3;2*5H,3-4H2,1-2H3;2*1,3-4H2,2H3;;/q3*-1;;;+1;+2.
What are the key properties of CID 69418950?
CID 69418950 has a molecular weight of 728.23 g/mol, XLogP of 8.48, 27 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69418950 is sourced from PubChem (CID 69418950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).