CID 175973485

C9H19ClO5SSn — CID 175973485

IUPAC—
SMILESCCOC(C)O[C@H](CCl)CCOS(C)(=O)=O.[Sn]
InChIInChI=1S/C9H19ClO5S.Sn/c1-4-13-8(2)15-9(7-10)5-6-14-16(3,11)12;/h8-9H,4-7H2,1-3H3;/t8?,9-;/m0./s1
InChIKeyFZLNEIYUPDFFGP-MTFPJWTKSA-N
MW393.48 g/mol
LogP0.98
Rot. Bonds9

About CID 175973485

CID 175973485 (PubChem CID 175973485) has the molecular formula C9H19ClO5SSn and a molecular weight of 393.48 g/mol.

Molecular Properties

Compound NameCID 175973485
PubChem CID175973485
Molecular FormulaC9H19ClO5SSn
Molecular Weight393.48 g/mol
Exact Mass393.97
IUPAC Name—
SMILESCCOC(C)O[C@H](CCl)CCOS(C)(=O)=O.[Sn]
InChIInChI=1S/C9H19ClO5S.Sn/c1-4-13-8(2)15-9(7-10)5-6-14-16(3,11)12;/h8-9H,4-7H2,1-3H3;/t8?,9-;/m0./s1
InChIKeyFZLNEIYUPDFFGP-MTFPJWTKSA-N
XLogP0.98
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-chloro-3-(1-ethoxyethoxy)butanoate
CID 138654225
[(3S)-4-chloro-3-hydroxybutyl] methanesulfonate
CID 10910602
5-(1-ethoxyethoxy)pent-3-ynyl methanesulfonate
CID 146018824
3,3-difluoropropyl methanesulfonate
CID 150016360
CID 175973477
CID 175973477
[(3S)-4-methylsulfonyloxy-3-phosphanyloxybutyl] methanesulfonate
CID 58779151
1,1-diethoxyethane;stannane
CID 87529398
[(4S)-4-methylhexyl] methanesulfonate
CID 57146796
[(3S)-4,4-dimethoxy-3-methylbutyl] methanesulfonate
CID 71609105
3,7-dimethyloctyl methanesulfonate
CID 77230634
[(3R)-4-methylsulfonyloxy-3-undecylsulfonylbutyl] methanesulfonate
CID 98520734
1,1-diethoxyethane
CID 7765

Frequently Asked Questions

What is the IUPAC name of CID 175973485?
The IUPAC name of CID 175973485 (CID 175973485) is not available.
What is the SMILES notation for CID 175973485?
The canonical SMILES for CID 175973485 is CCOC(C)O[C@H](CCl)CCOS(C)(=O)=O.[Sn].
What is the InChIKey of CID 175973485?
The InChIKey is FZLNEIYUPDFFGP-MTFPJWTKSA-N. The full InChI is InChI=1S/C9H19ClO5S.Sn/c1-4-13-8(2)15-9(7-10)5-6-14-16(3,11)12;/h8-9H,4-7H2,1-3H3;/t8?,9-;/m0./s1.
What are the key properties of CID 175973485?
CID 175973485 has a molecular weight of 393.48 g/mol, XLogP of 0.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175973485 is sourced from PubChem (CID 175973485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).