CID 59883541

C11H19O5S — CID 59883541

IUPAC—
SMILESCCOCCSCC(C[CH]C(=O)OC)C(=O)O
InChIInChI=1S/C11H19O5S/c1-3-16-6-7-17-8-9(11(13)14)4-5-10(12)15-2/h5,9H,3-4,6-8H2,1-2H3,(H,13,14)
InChIKeyLXCYTGOJHUEQOY-UHFFFAOYSA-N
MW263.33 g/mol
LogP1.22
Rot. Bonds10

About CID 59883541

CID 59883541 (PubChem CID 59883541) has the molecular formula C11H19O5S and a molecular weight of 263.33 g/mol.

Molecular Properties

Compound NameCID 59883541
PubChem CID59883541
Molecular FormulaC11H19O5S
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name—
SMILESCCOCCSCC(C[CH]C(=O)OC)C(=O)O
InChIInChI=1S/C11H19O5S/c1-3-16-6-7-17-8-9(11(13)14)4-5-10(12)15-2/h5,9H,3-4,6-8H2,1-2H3,(H,13,14)
InChIKeyLXCYTGOJHUEQOY-UHFFFAOYSA-N
XLogP1.22
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxypropylsulfanyl)-2-methylpropanoic acid
CID 65176721
(2R)-2-acetamido-3-(3-ethoxypropylsulfanyl)propanoic acid
CID 107774697
methyl 3-(3-ethoxypropylsulfanyl)-2-methylpropanoate
CID 65419600
(2S)-2-amino-3-(2-propoxyethylsulfanyl)propanoic acid
CID 107773252
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanyl]-2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]propanoate
CID 140815582
1-(2-ethoxyethylsulfanyl)-2-methylpropane
CID 88911934
2-acetamido-3-(2-propoxyethylsulfanyl)propanoic acid
CID 106453126
2-ethoxy-3-(2-methoxyethylsulfanyl)propanoic acid
CID 63098782
(2R)-2-amino-3-(2-butoxyethylsulfanyl)propanoic acid
CID 61149860
(2R)-2-amino-3-[2-[2-(2-butoxyethoxy)ethoxy]ethylsulfanyl]propanoic acid
CID 104563565
5-ethoxy-2-(2-ethoxyethyl)pentanoic acid
CID 121219340
(2R)-2-(hexadecanoylamino)-3-[2-(2-hexadecoxyethoxy)ethylsulfanyl]propanoic acid
CID 56622923

Frequently Asked Questions

What is the IUPAC name of CID 59883541?
The IUPAC name of CID 59883541 (CID 59883541) is not available.
What is the SMILES notation for CID 59883541?
The canonical SMILES for CID 59883541 is CCOCCSCC(C[CH]C(=O)OC)C(=O)O.
What is the InChIKey of CID 59883541?
The InChIKey is LXCYTGOJHUEQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O5S/c1-3-16-6-7-17-8-9(11(13)14)4-5-10(12)15-2/h5,9H,3-4,6-8H2,1-2H3,(H,13,14).
What are the key properties of CID 59883541?
CID 59883541 has a molecular weight of 263.33 g/mol, XLogP of 1.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59883541 is sourced from PubChem (CID 59883541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).