CID 100949985

C15H32O4S2Sn — CID 100949985

IUPAC—
SMILES[CH2]CCOCCOC.[CH2]CCOCCOC.[S-]CCC[S-].[Sn+2]
InChIInChI=1S/2C6H13O2.C3H8S2.Sn/c2*1-3-4-8-6-5-7-2;4-2-1-3-5;/h2*1,3-6H2,2H3;4-5H,1-3H2;/q;;;+2/p-2
InChIKeyGODDAHDJPKQOHE-UHFFFAOYSA-L
MW459.26 g/mol
LogP1.84
Rot. Bonds12

About CID 100949985

CID 100949985 (PubChem CID 100949985) has the molecular formula C15H32O4S2Sn and a molecular weight of 459.26 g/mol.

Molecular Properties

Compound NameCID 100949985
PubChem CID100949985
Molecular FormulaC15H32O4S2Sn
Molecular Weight459.26 g/mol
Exact Mass460.08
IUPAC Name—
SMILES[CH2]CCOCCOC.[CH2]CCOCCOC.[S-]CCC[S-].[Sn+2]
InChIInChI=1S/2C6H13O2.C3H8S2.Sn/c2*1-3-4-8-6-5-7-2;4-2-1-3-5;/h2*1,3-6H2,2H3;4-5H,1-3H2;/q;;;+2/p-2
InChIKeyGODDAHDJPKQOHE-UHFFFAOYSA-L
XLogP1.84
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

CID 100951495
CID 100951495
ethene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87459571
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;neodymium
CID 161321430
CID 173303266
CID 173303266
CID 172826348
CID 172826348
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
1-methoxy-2-(2-methoxyethoxy)ethane;tellane
CID 175355772
1,8-bis(2-methoxyethoxy)octane
CID 143118909

Frequently Asked Questions

What is the IUPAC name of CID 100949985?
The IUPAC name of CID 100949985 (CID 100949985) is not available.
What is the SMILES notation for CID 100949985?
The canonical SMILES for CID 100949985 is [CH2]CCOCCOC.[CH2]CCOCCOC.[S-]CCC[S-].[Sn+2].
What is the InChIKey of CID 100949985?
The InChIKey is GODDAHDJPKQOHE-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H13O2.C3H8S2.Sn/c2*1-3-4-8-6-5-7-2;4-2-1-3-5;/h2*1,3-6H2,2H3;4-5H,1-3H2;/q;;;+2/p-2.
What are the key properties of CID 100949985?
CID 100949985 has a molecular weight of 459.26 g/mol, XLogP of 1.84, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 100949985 is sourced from PubChem (CID 100949985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).