CID 173441278

C18H28ClO6Sn — CID 173441278

IUPAC—
SMILESC=CCOC(=O)CC[Sn](CCC(=O)OCC=C)CCC(=O)OCC=C.Cl
InChIInChI=1S/3C6H9O2.ClH.Sn/c3*1-3-5-8-6(7)4-2;;/h3*3H,1-2,4-5H2;1H;
InChIKeyBNJBAOKKQPTISZ-UHFFFAOYSA-N
MW494.58 g/mol
LogP3.26
Rot. Bonds15

About CID 173441278

CID 173441278 (PubChem CID 173441278) has the molecular formula C18H28ClO6Sn and a molecular weight of 494.58 g/mol.

Molecular Properties

Compound NameCID 173441278
PubChem CID173441278
Molecular FormulaC18H28ClO6Sn
Molecular Weight494.58 g/mol
Exact Mass495.06
IUPAC Name—
SMILESC=CCOC(=O)CC[Sn](CCC(=O)OCC=C)CCC(=O)OCC=C.Cl
InChIInChI=1S/3C6H9O2.ClH.Sn/c3*1-3-5-8-6(7)4-2;;/h3*3H,1-2,4-5H2;1H;
InChIKeyBNJBAOKKQPTISZ-UHFFFAOYSA-N
XLogP3.26
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-O-(4-oxo-4-prop-2-enoxybutanoyl) 1-O-prop-2-enyl butanedioate
CID 11822629
bis(prop-2-enyl) (2R)-2-aminopentanedioate
CID 87603171
bis(prop-2-enyl) 2-aminobutanedioate
CID 3883747
prop-2-enyl 4-hydroxybutanoate
CID 11367059
prop-2-enyl 3-tris(3-oxo-3-prop-2-enoxypropyl)stannylpropanoate
CID 23330193
10-O-ethenyl 1-O-prop-2-enyl decanedioate
CID 87433585
5-oxo-5-prop-2-enoxypentanoate
CID 22245436
bis(prop-2-enyl) but-2-enedioate;bis(prop-2-enyl) hexanedioate
CID 173434680
2-amino-4-oxo-4-prop-2-enoxybutanoic acid;hydrochloride
CID 71340217
8-oxo-8-prop-2-enoxyoctanoic acid
CID 71357331
azane;prop-2-enyl but-3-enoate
CID 88514758
magnesium;bis(prop-2-enyl) propanedioate;hydride
CID 173327866

Frequently Asked Questions

What is the IUPAC name of CID 173441278?
The IUPAC name of CID 173441278 (CID 173441278) is not available.
What is the SMILES notation for CID 173441278?
The canonical SMILES for CID 173441278 is C=CCOC(=O)CC[Sn](CCC(=O)OCC=C)CCC(=O)OCC=C.Cl.
What is the InChIKey of CID 173441278?
The InChIKey is BNJBAOKKQPTISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C6H9O2.ClH.Sn/c3*1-3-5-8-6(7)4-2;;/h3*3H,1-2,4-5H2;1H;.
What are the key properties of CID 173441278?
CID 173441278 has a molecular weight of 494.58 g/mol, XLogP of 3.26, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173441278 is sourced from PubChem (CID 173441278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).