chloro(octadecoxy)tin;hydrate

C18H39ClO2Sn — CID 88816553

IUPACchloro(octadecoxy)tin;hydrate
SMILESCCCCCCCCCCCCCCCCCCO[Sn]Cl.O
InChIInChI=1S/C18H37O.ClH.H2O.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;/h2-18H2,1H3;1H;1H2;/q-1;;;+2/p-1
InChIKeyUVODVFHBRHAFNK-UHFFFAOYSA-M
MW441.67 g/mol
LogP6.21
Rot. Bonds18

About chloro(octadecoxy)tin;hydrate

chloro(octadecoxy)tin;hydrate (PubChem CID 88816553) has the molecular formula C18H39ClO2Sn and a molecular weight of 441.67 g/mol. Its IUPAC name is chloro(octadecoxy)tin;hydrate.

Molecular Properties

Compound Namechloro(octadecoxy)tin;hydrate
PubChem CID88816553
Molecular FormulaC18H39ClO2Sn
Molecular Weight441.67 g/mol
Exact Mass442.17
IUPAC Namechloro(octadecoxy)tin;hydrate
SMILESCCCCCCCCCCCCCCCCCCO[Sn]Cl.O
InChIInChI=1S/C18H37O.ClH.H2O.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;/h2-18H2,1H3;1H;1H2;/q-1;;;+2/p-1
InChIKeyUVODVFHBRHAFNK-UHFFFAOYSA-M
XLogP6.21
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.67
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

butoxy(chloro)tin;hydrate
CID 87093147
dodecylmercury;hydrate
CID 78070234
CID 87374991
CID 87374991
decane;ruthenium
CID 160818595
heptane;hydrate
CID 57468513
CID 20656554
CID 20656554
1-decoxydocosane
CID 87077677
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-octylperoxynonane
CID 151564626

Frequently Asked Questions

What is the IUPAC name of chloro(octadecoxy)tin;hydrate?
The IUPAC name of chloro(octadecoxy)tin;hydrate (CID 88816553) is chloro(octadecoxy)tin;hydrate.
What is the SMILES notation for chloro(octadecoxy)tin;hydrate?
The canonical SMILES for chloro(octadecoxy)tin;hydrate is CCCCCCCCCCCCCCCCCCO[Sn]Cl.O.
What is the InChIKey of chloro(octadecoxy)tin;hydrate?
The InChIKey is UVODVFHBRHAFNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H37O.ClH.H2O.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;;/h2-18H2,1H3;1H;1H2;/q-1;;;+2/p-1.
What are the key properties of chloro(octadecoxy)tin;hydrate?
chloro(octadecoxy)tin;hydrate has a molecular weight of 441.67 g/mol, XLogP of 6.21, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(octadecoxy)tin;hydrate is sourced from PubChem (CID 88816553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).