dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid)

C30H64O4S2Sn — CID 157292375

IUPACdibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid)
SMILESCC(C)CCCCCSCC(=O)O.CC(C)CCCCCSCC(=O)O.CCCC[Sn](C)(C)CCCC
InChIInChI=1S/2C10H20O2S.2C4H9.2CH3.Sn/c2*1-9(2)6-4-3-5-7-13-8-10(11)12;2*1-3-4-2;;;/h2*9H,3-8H2,1-2H3,(H,11,12);2*1,3-4H2,2H3;2*1H3;
InChIKeyBAYLVOHMSXUPCU-UHFFFAOYSA-N
MW671.68 g/mol
LogP10.34
Rot. Bonds22

About dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid)

dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid) (PubChem CID 157292375) has the molecular formula C30H64O4S2Sn and a molecular weight of 671.68 g/mol. Its IUPAC name is dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid).

Molecular Properties

Compound Namedibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid)
PubChem CID157292375
Molecular FormulaC30H64O4S2Sn
Molecular Weight671.68 g/mol
Exact Mass672.33
IUPAC Namedibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid)
SMILESCC(C)CCCCCSCC(=O)O.CC(C)CCCCCSCC(=O)O.CCCC[Sn](C)(C)CCCC
InChIInChI=1S/2C10H20O2S.2C4H9.2CH3.Sn/c2*1-9(2)6-4-3-5-7-13-8-10(11)12;2*1-3-4-2;;;/h2*9H,3-8H2,1-2H3,(H,11,12);2*1,3-4H2,2H3;2*1H3;
InChIKeyBAYLVOHMSXUPCU-UHFFFAOYSA-N
XLogP10.34
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.68
LogP ≤ 510.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(6-octylsulfanylhexylsulfanyl)acetic acid
CID 102095686
dibutyltin(2+);bis(2-(6-methylheptylsulfanyl)acetate)
CID 22062378
2-[(Z)-octadec-9-enyl]sulfanylacetic acid
CID 158077837
7-methyloctanoic acid;nonanoic acid
CID 159973040
docosanoic acid;2-methylpentadecane
CID 161174634
16-methylheptadecanoic acid;tetradecane
CID 162095206
11-[butyl(dimethyl)stannyl]undecanoic acid
CID 71370652
16-methylheptadecanoic acid;bis(octadecanoic acid)
CID 160563934
bis[[2-(6-methylheptylsulfanyl)acetyl]oxy]stibanyl 2-(6-methylheptylsulfanyl)acetate
CID 16684303
dibutyl-bis(7-methyloctyl)stannane;3-sulfanylpropanoic acid
CID 174166479
2-methylnonadecane;propan-2-one
CID 141405407
2-[2-(7-methyloctylamino)-2-oxoethyl]sulfanylacetic acid
CID 112683221

Frequently Asked Questions

What is the IUPAC name of dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid)?
The IUPAC name of dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid) (CID 157292375) is dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid).
What is the SMILES notation for dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid)?
The canonical SMILES for dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid) is CC(C)CCCCCSCC(=O)O.CC(C)CCCCCSCC(=O)O.CCCC[Sn](C)(C)CCCC.
What is the InChIKey of dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid)?
The InChIKey is BAYLVOHMSXUPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O2S.2C4H9.2CH3.Sn/c2*1-9(2)6-4-3-5-7-13-8-10(11)12;2*1-3-4-2;;;/h2*9H,3-8H2,1-2H3,(H,11,12);2*1,3-4H2,2H3;2*1H3;.
What are the key properties of dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid)?
dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid) has a molecular weight of 671.68 g/mol, XLogP of 10.34, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(dimethyl)stannane;bis(2-(6-methylheptylsulfanyl)acetic acid) is sourced from PubChem (CID 157292375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).