butoxy(chloro)tin;hydrate

C4H11ClO2Sn — CID 87093147

IUPACbutoxy(chloro)tin;hydrate
SMILESCCCCO[Sn]Cl.O
InChIInChI=1S/C4H9O.ClH.H2O.Sn/c1-2-3-4-5;;;/h2-4H2,1H3;1H;1H2;/q-1;;;+2/p-1
InChIKeyDHAPDDBQGVFOPT-UHFFFAOYSA-M
MW245.29 g/mol
LogP0.75
Rot. Bonds4

About butoxy(chloro)tin;hydrate

butoxy(chloro)tin;hydrate (PubChem CID 87093147) has the molecular formula C4H11ClO2Sn and a molecular weight of 245.29 g/mol. Its IUPAC name is butoxy(chloro)tin;hydrate.

Molecular Properties

Compound Namebutoxy(chloro)tin;hydrate
PubChem CID87093147
Molecular FormulaC4H11ClO2Sn
Molecular Weight245.29 g/mol
Exact Mass245.95
IUPAC Namebutoxy(chloro)tin;hydrate
SMILESCCCCO[Sn]Cl.O
InChIInChI=1S/C4H9O.ClH.H2O.Sn/c1-2-3-4-5;;;/h2-4H2,1H3;1H;1H2;/q-1;;;+2/p-1
InChIKeyDHAPDDBQGVFOPT-UHFFFAOYSA-M
XLogP0.75
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.75
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

chloro(octadecoxy)tin;hydrate
CID 88816553
1-butylperoxybutane;hydrate
CID 158567350
tributoxy(chloro)germane
CID 22476945
CID 87374991
CID 87374991
1-butylperoxybutane
CID 159275797
hexadecakis(pentane);dihydrate
CID 173099119
hexane;tetrahydrate
CID 174107213
pentane;stannane
CID 173279416
3-butoxypropylsilane
CID 174507386
1-[dibutoxy(tributoxymethoxy)methoxy]butane
CID 150729336
CID 87822452
CID 87822452
dibutoxy(chloro)phosphane
CID 4231195

Frequently Asked Questions

What is the IUPAC name of butoxy(chloro)tin;hydrate?
The IUPAC name of butoxy(chloro)tin;hydrate (CID 87093147) is butoxy(chloro)tin;hydrate.
What is the SMILES notation for butoxy(chloro)tin;hydrate?
The canonical SMILES for butoxy(chloro)tin;hydrate is CCCCO[Sn]Cl.O.
What is the InChIKey of butoxy(chloro)tin;hydrate?
The InChIKey is DHAPDDBQGVFOPT-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O.ClH.H2O.Sn/c1-2-3-4-5;;;/h2-4H2,1H3;1H;1H2;/q-1;;;+2/p-1.
What are the key properties of butoxy(chloro)tin;hydrate?
butoxy(chloro)tin;hydrate has a molecular weight of 245.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(chloro)tin;hydrate is sourced from PubChem (CID 87093147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).