CID 173066597

C13H25O3Sn — CID 173066597

IUPAC—
SMILESCCCCCCCCC(CCC)C(=O)O[Sn]=O
InChIInChI=1S/C13H26O2.O.Sn/c1-3-5-6-7-8-9-11-12(10-4-2)13(14)15;;/h12H,3-11H2,1-2H3,(H,14,15);;/q;;+1/p-1
InChIKeyMXZINTRHUZURHI-UHFFFAOYSA-M
MW348.05 g/mol
LogP3.66
Rot. Bonds11

About CID 173066597

CID 173066597 (PubChem CID 173066597) has the molecular formula C13H25O3Sn and a molecular weight of 348.05 g/mol.

Molecular Properties

Compound NameCID 173066597
PubChem CID173066597
Molecular FormulaC13H25O3Sn
Molecular Weight348.05 g/mol
Exact Mass349.08
IUPAC Name—
SMILESCCCCCCCCC(CCC)C(=O)O[Sn]=O
InChIInChI=1S/C13H26O2.O.Sn/c1-3-5-6-7-8-9-11-12(10-4-2)13(14)15;;/h12H,3-11H2,1-2H3,(H,14,15);;/q;;+1/p-1
InChIKeyMXZINTRHUZURHI-UHFFFAOYSA-M
XLogP3.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.05
LogP ≤ 53.66
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

CID 173066716
CID 173066716
2-propylnonanoyl 2-propylnonanoate
CID 54359138
methyl 2-propyltetradecanoate
CID 174361538
2-propyldodecaneperoxoic acid
CID 23173793
propyl 2-propyldecanoate
CID 138561183
hydroxymethyl 2-propyldodecanoate
CID 175526822
ethyl 2-dodecyltetradecanoate
CID 125289764
ethyl 2-hexyloctanoate
CID 18373010
tert-butyl 2-propyldecanoate
CID 141018568
methyl 2-undecyltridecanoate
CID 176610383
ethyl 2-(3-hydroxypropyl)octanoate
CID 57193425
undecyl 2-heptyltridecanoate
CID 174740301

Frequently Asked Questions

What is the IUPAC name of CID 173066597?
The IUPAC name of CID 173066597 (CID 173066597) is not available.
What is the SMILES notation for CID 173066597?
The canonical SMILES for CID 173066597 is CCCCCCCCC(CCC)C(=O)O[Sn]=O.
What is the InChIKey of CID 173066597?
The InChIKey is MXZINTRHUZURHI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H26O2.O.Sn/c1-3-5-6-7-8-9-11-12(10-4-2)13(14)15;;/h12H,3-11H2,1-2H3,(H,14,15);;/q;;+1/p-1.
What are the key properties of CID 173066597?
CID 173066597 has a molecular weight of 348.05 g/mol, XLogP of 3.66, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173066597 is sourced from PubChem (CID 173066597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).