CID 59609252

C12H14O6 — CID 59609252

IUPAC—
SMILES[CH]C(=O)OCC(=O)OC1CCC(OC([CH])=O)CC1
InChIInChI=1S/C12H14O6/c1-8(13)16-7-12(15)18-11-5-3-10(4-6-11)17-9(2)14/h1-2,10-11H,3-7H2
InChIKeyYOMUBHJMHIWAGD-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.35
Rot. Bonds4

About CID 59609252

CID 59609252 (PubChem CID 59609252) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol.

Molecular Properties

Compound NameCID 59609252
PubChem CID59609252
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Name—
SMILES[CH]C(=O)OCC(=O)OC1CCC(OC([CH])=O)CC1
InChIInChI=1S/C12H14O6/c1-8(13)16-7-12(15)18-11-5-3-10(4-6-11)17-9(2)14/h1-2,10-11H,3-7H2
InChIKeyYOMUBHJMHIWAGD-UHFFFAOYSA-N
XLogP0.35
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 91702391
piperidin-4-yl 2-methoxyacetate
CID 53410127
cyclohexyl 2-aminoacetate;hydrochloride
CID 14180607
(2-cyclohexyloxy-2-oxoethyl) 3-(sulfonylamino)propanoate
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dicyclohexyl 2-aminobutanedioate chloride
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Frequently Asked Questions

What is the IUPAC name of CID 59609252?
The IUPAC name of CID 59609252 (CID 59609252) is not available.
What is the SMILES notation for CID 59609252?
The canonical SMILES for CID 59609252 is [CH]C(=O)OCC(=O)OC1CCC(OC([CH])=O)CC1.
What is the InChIKey of CID 59609252?
The InChIKey is YOMUBHJMHIWAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c1-8(13)16-7-12(15)18-11-5-3-10(4-6-11)17-9(2)14/h1-2,10-11H,3-7H2.
What are the key properties of CID 59609252?
CID 59609252 has a molecular weight of 254.24 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59609252 is sourced from PubChem (CID 59609252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).