[dibutyl(propyl)stannyl]formic acid

C12H26O2Sn — CID 88843444

IUPAC[dibutyl(propyl)stannyl]formic acid
SMILESCCCC[Sn](CCC)(CCCC)C(=O)O
InChIInChI=1S/2C4H9.C3H7.CHO2.Sn/c2*1-3-4-2;1-3-2;2-1-3;/h2*1,3-4H2,2H3;1,3H2,2H3;(H,2,3);
InChIKeyYJPGXYHTUIDQFP-UHFFFAOYSA-N
MW321.05 g/mol
LogP4.71
Rot. Bonds9

About [dibutyl(propyl)stannyl]formic acid

[dibutyl(propyl)stannyl]formic acid (PubChem CID 88843444) has the molecular formula C12H26O2Sn and a molecular weight of 321.05 g/mol. Its IUPAC name is [dibutyl(propyl)stannyl]formic acid.

Molecular Properties

Compound Name[dibutyl(propyl)stannyl]formic acid
PubChem CID88843444
Molecular FormulaC12H26O2Sn
Molecular Weight321.05 g/mol
Exact Mass322.10
IUPAC Name[dibutyl(propyl)stannyl]formic acid
SMILESCCCC[Sn](CCC)(CCCC)C(=O)O
InChIInChI=1S/2C4H9.C3H7.CHO2.Sn/c2*1-3-4-2;1-3-2;2-1-3;/h2*1,3-4H2,2H3;1,3H2,2H3;(H,2,3);
InChIKeyYJPGXYHTUIDQFP-UHFFFAOYSA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.05
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2,3-bis(tributylstannyl)but-2-enedioate
CID 20836476
acetic acid;1-[acetyl(dibutyl)stannyl]ethanone
CID 162317403
carbonic acid;bis(hexane)
CID 173367789
(Z)-2,3-bis(tributylstannyl)but-2-ene-1,4-diol
CID 11082898
piperidin-1-yl(tributylstannyl)methanone
CID 11036834
oxalic acid;pentane
CID 158926498
(Z)-but-2-enedioic acid;dibutyl(dichloro)stannane
CID 162328803
magnesium;dibutyl(diethyl)stannane;propanedioic acid;dichloride
CID 174955340
methyl (2Z,4Z)-2-tributylstannylhexa-2,4-dienoate
CID 134940806
icosane;oxalic acid
CID 175691290
acetic acid;decane
CID 172853582
acetic acid;nonane
CID 174272180

Frequently Asked Questions

What is the IUPAC name of [dibutyl(propyl)stannyl]formic acid?
The IUPAC name of [dibutyl(propyl)stannyl]formic acid (CID 88843444) is [dibutyl(propyl)stannyl]formic acid.
What is the SMILES notation for [dibutyl(propyl)stannyl]formic acid?
The canonical SMILES for [dibutyl(propyl)stannyl]formic acid is CCCC[Sn](CCC)(CCCC)C(=O)O.
What is the InChIKey of [dibutyl(propyl)stannyl]formic acid?
The InChIKey is YJPGXYHTUIDQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9.C3H7.CHO2.Sn/c2*1-3-4-2;1-3-2;2-1-3;/h2*1,3-4H2,2H3;1,3H2,2H3;(H,2,3);.
What are the key properties of [dibutyl(propyl)stannyl]formic acid?
[dibutyl(propyl)stannyl]formic acid has a molecular weight of 321.05 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl(propyl)stannyl]formic acid is sourced from PubChem (CID 88843444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).