(5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate

C19H26O7 — CID 91065711

IUPAC(5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate
SMILESCOCOc1ccccc1C(=O)OC1CCCCC(O)C(O)C(=O)CC1
InChIInChI=1S/C19H26O7/c1-24-12-25-17-9-5-3-7-14(17)19(23)26-13-6-2-4-8-15(20)18(22)16(21)11-10-13/h3,5,7,9,13,15,18,20,22H,2,4,6,8,10-12H2,1H3
InChIKeyMGWUTVAMOSIOHF-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.84
Rot. Bonds5

About (5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate

(5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate (PubChem CID 91065711) has the molecular formula C19H26O7 and a molecular weight of 366.41 g/mol. Its IUPAC name is (5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate.

Molecular Properties

Compound Name(5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate
PubChem CID91065711
Molecular FormulaC19H26O7
Molecular Weight366.41 g/mol
Exact Mass366.17
IUPAC Name(5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate
SMILESCOCOc1ccccc1C(=O)OC1CCCCC(O)C(O)C(=O)CC1
InChIInChI=1S/C19H26O7/c1-24-12-25-17-9-5-3-7-14(17)19(23)26-13-6-2-4-8-15(20)18(22)16(21)11-10-13/h3,5,7,9,13,15,18,20,22H,2,4,6,8,10-12H2,1H3
InChIKeyMGWUTVAMOSIOHF-UHFFFAOYSA-N
XLogP1.84
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate?
The IUPAC name of (5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate (CID 91065711) is (5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate.
What is the SMILES notation for (5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate?
The canonical SMILES for (5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate is COCOc1ccccc1C(=O)OC1CCCCC(O)C(O)C(=O)CC1.
What is the InChIKey of (5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate?
The InChIKey is MGWUTVAMOSIOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O7/c1-24-12-25-17-9-5-3-7-14(17)19(23)26-13-6-2-4-8-15(20)18(22)16(21)11-10-13/h3,5,7,9,13,15,18,20,22H,2,4,6,8,10-12H2,1H3.
What are the key properties of (5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate?
(5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate has a molecular weight of 366.41 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dihydroxy-4-oxocyclodecyl) 2-(methoxymethoxy)benzoate is sourced from PubChem (CID 91065711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).