decanedioic acid;dimethyltin

C12H24O4Sn — CID 174830885

IUPACdecanedioic acid;dimethyltin
SMILESC[Sn]C.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.2CH3.Sn/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;/h1-8H2,(H,11,12)(H,13,14);2*1H3;
InChIKeySHPUELCUDMJJNI-UHFFFAOYSA-N
MW351.03 g/mol
LogP3.06
Rot. Bonds9

About decanedioic acid;dimethyltin

decanedioic acid;dimethyltin (PubChem CID 174830885) has the molecular formula C12H24O4Sn and a molecular weight of 351.03 g/mol. Its IUPAC name is decanedioic acid;dimethyltin.

Molecular Properties

Compound Namedecanedioic acid;dimethyltin
PubChem CID174830885
Molecular FormulaC12H24O4Sn
Molecular Weight351.03 g/mol
Exact Mass352.07
IUPAC Namedecanedioic acid;dimethyltin
SMILESC[Sn]C.O=C(O)CCCCCCCCC(=O)O
InChIInChI=1S/C10H18O4.2CH3.Sn/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;/h1-8H2,(H,11,12)(H,13,14);2*1H3;
InChIKeySHPUELCUDMJJNI-UHFFFAOYSA-N
XLogP3.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.03
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methanol;tridecanedioic acid
CID 175511493
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033
butanedioic acid;decanedioic acid;hexanedioic acid;octanedioic acid
CID 157217252
octanedioic acid;zinc
CID 87285694

Frequently Asked Questions

What is the IUPAC name of decanedioic acid;dimethyltin?
The IUPAC name of decanedioic acid;dimethyltin (CID 174830885) is decanedioic acid;dimethyltin.
What is the SMILES notation for decanedioic acid;dimethyltin?
The canonical SMILES for decanedioic acid;dimethyltin is C[Sn]C.O=C(O)CCCCCCCCC(=O)O.
What is the InChIKey of decanedioic acid;dimethyltin?
The InChIKey is SHPUELCUDMJJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O4.2CH3.Sn/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;;;/h1-8H2,(H,11,12)(H,13,14);2*1H3;.
What are the key properties of decanedioic acid;dimethyltin?
decanedioic acid;dimethyltin has a molecular weight of 351.03 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decanedioic acid;dimethyltin is sourced from PubChem (CID 174830885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).