3-trimethylstannylpropyl furan-2-carboxylate

C11H18O3Sn — CID 12901421

IUPAC3-trimethylstannylpropyl furan-2-carboxylate
SMILESC[Sn](C)(C)CCCOC(=O)c1ccco1
InChIInChI=1S/C8H9O3.3CH3.Sn/c1-2-5-11-8(9)7-4-3-6-10-7;;;;/h3-4,6H,1-2,5H2;3*1H3;
InChIKeyXGEPJJGYKPCIBQ-UHFFFAOYSA-N
MW316.97 g/mol
LogP3.16
Rot. Bonds5

About 3-trimethylstannylpropyl furan-2-carboxylate

3-trimethylstannylpropyl furan-2-carboxylate (PubChem CID 12901421) has the molecular formula C11H18O3Sn and a molecular weight of 316.97 g/mol. Its IUPAC name is 3-trimethylstannylpropyl furan-2-carboxylate.

Molecular Properties

Compound Name3-trimethylstannylpropyl furan-2-carboxylate
PubChem CID12901421
Molecular FormulaC11H18O3Sn
Molecular Weight316.97 g/mol
Exact Mass318.03
IUPAC Name3-trimethylstannylpropyl furan-2-carboxylate
SMILESC[Sn](C)(C)CCCOC(=O)c1ccco1
InChIInChI=1S/C8H9O3.3CH3.Sn/c1-2-5-11-8(9)7-4-3-6-10-7;;;;/h3-4,6H,1-2,5H2;3*1H3;
InChIKeyXGEPJJGYKPCIBQ-UHFFFAOYSA-N
XLogP3.16
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.97
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-carbonyloxy)propane-1-sulfonate
CID 140586101
6-chlorohexyl furan-2-carboxylate
CID 91704997
3-(furan-2-carbonyloxy)propane-1-sulfonic acid
CID 88573646
bromomethyl furan-2-carboxylate
CID 54363056
3-(3-methylbutylamino)propyl furan-2-carboxylate
CID 82532005
3,3-dimethylhex-5-enyl furan-2-carboxylate
CID 134970089
(4-pentoxycarbonylphenyl) furan-2-carboxylate
CID 4024442
[5-(furan-2-carbonyloxymethyl)-3-pyridinyl]methyl furan-2-carboxylate
CID 4534837
3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride
CID 3050997
[2-(4-butoxycarbonylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631611
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
CID 23738695
ethylsulfanylcarbonyloxymethyl furan-2-carboxylate
CID 14800947

Frequently Asked Questions

What is the IUPAC name of 3-trimethylstannylpropyl furan-2-carboxylate?
The IUPAC name of 3-trimethylstannylpropyl furan-2-carboxylate (CID 12901421) is 3-trimethylstannylpropyl furan-2-carboxylate.
What is the SMILES notation for 3-trimethylstannylpropyl furan-2-carboxylate?
The canonical SMILES for 3-trimethylstannylpropyl furan-2-carboxylate is C[Sn](C)(C)CCCOC(=O)c1ccco1.
What is the InChIKey of 3-trimethylstannylpropyl furan-2-carboxylate?
The InChIKey is XGEPJJGYKPCIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3.3CH3.Sn/c1-2-5-11-8(9)7-4-3-6-10-7;;;;/h3-4,6H,1-2,5H2;3*1H3;.
What are the key properties of 3-trimethylstannylpropyl furan-2-carboxylate?
3-trimethylstannylpropyl furan-2-carboxylate has a molecular weight of 316.97 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylstannylpropyl furan-2-carboxylate is sourced from PubChem (CID 12901421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).