methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate)

C34H70O6S3Sn — CID 173443930

IUPACmethyl-λ2-stannane;tris(2-sulfanylethyl nonanoate)
SMILESCCCCCCCCC(=O)OCCS.CCCCCCCCC(=O)OCCS.CCCCCCCCC(=O)OCCS.C[SnH]
InChIInChI=1S/3C11H22O2S.CH3.Sn.H/c3*1-2-3-4-5-6-7-8-11(12)13-9-10-14;;;/h3*14H,2-10H2,1H3;1H3;;
InChIKeySWCYNIHDRDRVQG-UHFFFAOYSA-N
MW789.84 g/mol
LogP9.57
Rot. Bonds27

About methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate)

methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate) (PubChem CID 173443930) has the molecular formula C34H70O6S3Sn and a molecular weight of 789.84 g/mol. Its IUPAC name is methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate).

Molecular Properties

Compound Namemethyl-λ2-stannane;tris(2-sulfanylethyl nonanoate)
PubChem CID173443930
Molecular FormulaC34H70O6S3Sn
Molecular Weight789.84 g/mol
Exact Mass790.34
IUPAC Namemethyl-λ2-stannane;tris(2-sulfanylethyl nonanoate)
SMILESCCCCCCCCC(=O)OCCS.CCCCCCCCC(=O)OCCS.CCCCCCCCC(=O)OCCS.C[SnH]
InChIInChI=1S/3C11H22O2S.CH3.Sn.H/c3*1-2-3-4-5-6-7-8-11(12)13-9-10-14;;;/h3*14H,2-10H2,1H3;1H3;;
InChIKeySWCYNIHDRDRVQG-UHFFFAOYSA-N
XLogP9.57
TPSA78.90 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds27
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500789.84
LogP ≤ 59.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 173449711
CID 173449711
hexadecyl 11-sulfanylundecanoate
CID 155738867
8-sulfanyloctyl octanoate
CID 18962131
dodecyl 12-sulfanyldodecanoate
CID 91112425
8-sulfanyloctyl heptanoate
CID 19068332
bis(2-tetradecanoyloxyethyl) decanedioate
CID 176638413
2-henicosanoyloxyethyl henicosanoate
CID 54483902
dinonyl decanedioate
CID 20075
7-O-hexadecyl 1-O-octyl heptanedioate
CID 91718441
docosyl docosanoate;docosyl octadecanoate
CID 175861310
dodecyl undecanoate
CID 56935973
tetradecyl hexadecanoate;tetradecyl icosanoate;tetradecyl octadecanoate;tetradecyl tetradecanoate
CID 175691785

Frequently Asked Questions

What is the IUPAC name of methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate)?
The IUPAC name of methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate) (CID 173443930) is methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate).
What is the SMILES notation for methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate)?
The canonical SMILES for methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate) is CCCCCCCCC(=O)OCCS.CCCCCCCCC(=O)OCCS.CCCCCCCCC(=O)OCCS.C[SnH].
What is the InChIKey of methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate)?
The InChIKey is SWCYNIHDRDRVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H22O2S.CH3.Sn.H/c3*1-2-3-4-5-6-7-8-11(12)13-9-10-14;;;/h3*14H,2-10H2,1H3;1H3;;.
What are the key properties of methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate)?
methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate) has a molecular weight of 789.84 g/mol, XLogP of 9.57, 27 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-λ2-stannane;tris(2-sulfanylethyl nonanoate) is sourced from PubChem (CID 173443930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).