butane-1,1-diol;oxotin

C4H10O3Sn — CID 175410549

IUPACbutane-1,1-diol;oxotin
SMILESCCCC(O)O.O=[Sn]
InChIInChI=1S/C4H10O2.O.Sn/c1-2-3-4(5)6;;/h4-6H,2-3H2,1H3;;
InChIKeyVGXUCRHACYYBDQ-UHFFFAOYSA-N
MW224.83 g/mol
LogP-0.40
Rot. Bonds2

About butane-1,1-diol;oxotin

butane-1,1-diol;oxotin (PubChem CID 175410549) has the molecular formula C4H10O3Sn and a molecular weight of 224.83 g/mol. Its IUPAC name is butane-1,1-diol;oxotin.

Molecular Properties

Compound Namebutane-1,1-diol;oxotin
PubChem CID175410549
Molecular FormulaC4H10O3Sn
Molecular Weight224.83 g/mol
Exact Mass225.97
IUPAC Namebutane-1,1-diol;oxotin
SMILESCCCC(O)O.O=[Sn]
InChIInChI=1S/C4H10O2.O.Sn/c1-2-3-4(5)6;;/h4-6H,2-3H2,1H3;;
InChIKeyVGXUCRHACYYBDQ-UHFFFAOYSA-N
XLogP-0.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.83
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane-1,1-diol;hydrate
CID 87459661
bis(butane-1,1-diol);dihydrochloride
CID 173010024
butane;butane-1,1-diol
CID 87427051
butane-1,1-diol;carbonic acid
CID 88634618
tetrakis(butane-1,1-diol);titanium;dihydrate
CID 168793685
bis(butane-1,1-diol);oxalic acid
CID 158734382
butane-1,1-diol;butane-1,2,3,4-tetrol
CID 175408326
CID 175979534
CID 175979534
CID 172720711
CID 172720711
butane-1,1-diol;mercury(1+);prop-2-enoate
CID 174882415
butane-1,1-diol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 174889457
decane;dodecane-1,1-diol
CID 162011285

Frequently Asked Questions

What is the IUPAC name of butane-1,1-diol;oxotin?
The IUPAC name of butane-1,1-diol;oxotin (CID 175410549) is butane-1,1-diol;oxotin.
What is the SMILES notation for butane-1,1-diol;oxotin?
The canonical SMILES for butane-1,1-diol;oxotin is CCCC(O)O.O=[Sn].
What is the InChIKey of butane-1,1-diol;oxotin?
The InChIKey is VGXUCRHACYYBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.O.Sn/c1-2-3-4(5)6;;/h4-6H,2-3H2,1H3;;.
What are the key properties of butane-1,1-diol;oxotin?
butane-1,1-diol;oxotin has a molecular weight of 224.83 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,1-diol;oxotin is sourced from PubChem (CID 175410549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).