6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol

C16H24O6 — CID 89385278

IUPAC6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC(COCCOCC3CC4OC3C3OC43)C1O2
InChIInChI=1S/C16H24O6/c17-11-5-10-3-8(13(11)20-10)6-18-1-2-19-7-9-4-12-15-16(22-15)14(9)21-12/h8-17H,1-7H2
InChIKeyGFMZOABPHNREQL-UHFFFAOYSA-N
MW312.36 g/mol
LogP0.11
Rot. Bonds7

About 6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol

6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol (PubChem CID 89385278) has the molecular formula C16H24O6 and a molecular weight of 312.36 g/mol. Its IUPAC name is 6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol
PubChem CID89385278
Molecular FormulaC16H24O6
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol
SMILESOC1CC2CC(COCCOCC3CC4OC3C3OC43)C1O2
InChIInChI=1S/C16H24O6/c17-11-5-10-3-8(13(11)20-10)6-18-1-2-19-7-9-4-12-15-16(22-15)14(9)21-12/h8-17H,1-7H2
InChIKeyGFMZOABPHNREQL-UHFFFAOYSA-N
XLogP0.11
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol (CID 89385278) is 6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol is OC1CC2CC(COCCOCC3CC4OC3C3OC43)C1O2.
What is the InChIKey of 6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol?
The InChIKey is GFMZOABPHNREQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O6/c17-11-5-10-3-8(13(11)20-10)6-18-1-2-19-7-9-4-12-15-16(22-15)14(9)21-12/h8-17H,1-7H2.
What are the key properties of 6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol?
6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol has a molecular weight of 312.36 g/mol, XLogP of 0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,8-dioxatricyclo[3.2.1.02,4]octan-6-ylmethoxy)ethoxymethyl]-7-oxabicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 89385278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).