(3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate

C15H24O7 — CID 154167556

IUPAC(3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate
SMILESCOC1CC(OC(=O)C(OC2CC(O)C2)OC2CCC2O)C1
InChIInChI=1S/C15H24O7/c1-19-9-6-11(7-9)20-14(18)15(21-10-4-8(16)5-10)22-13-3-2-12(13)17/h8-13,15-17H,2-7H2,1H3
InChIKeyWSOMVXAVCKAVSP-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.11
Rot. Bonds7

About (3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate

(3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate (PubChem CID 154167556) has the molecular formula C15H24O7 and a molecular weight of 316.35 g/mol. Its IUPAC name is (3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate.

Molecular Properties

Compound Name(3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate
PubChem CID154167556
Molecular FormulaC15H24O7
Molecular Weight316.35 g/mol
Exact Mass316.15
IUPAC Name(3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate
SMILESCOC1CC(OC(=O)C(OC2CC(O)C2)OC2CCC2O)C1
InChIInChI=1S/C15H24O7/c1-19-9-6-11(7-9)20-14(18)15(21-10-4-8(16)5-10)22-13-3-2-12(13)17/h8-13,15-17H,2-7H2,1H3
InChIKeyWSOMVXAVCKAVSP-UHFFFAOYSA-N
XLogP0.11
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.11
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 (3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate?
The IUPAC name of (3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate (CID 154167556) is (3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate.
What is the SMILES notation for (3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate?
The canonical SMILES for (3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate is COC1CC(OC(=O)C(OC2CC(O)C2)OC2CCC2O)C1.
What is the InChIKey of (3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate?
The InChIKey is WSOMVXAVCKAVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O7/c1-19-9-6-11(7-9)20-14(18)15(21-10-4-8(16)5-10)22-13-3-2-12(13)17/h8-13,15-17H,2-7H2,1H3.
What are the key properties of (3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate?
(3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate has a molecular weight of 316.35 g/mol, XLogP of 0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycyclobutyl) 2-(2-hydroxycyclobutyl)oxy-2-(3-hydroxycyclobutyl)oxyacetate is sourced from PubChem (CID 154167556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).