7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol

C16H26O4 — CID 20669197

IUPAC7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol
SMILESCC(C)(OC(O)C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C16H26O4/c1-16(2,10-4-6-12-14(8-10)19-12)20-15(17)9-3-5-11-13(7-9)18-11/h9-15,17H,3-8H2,1-2H3
InChIKeyLVOMBOIHNQEITD-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.23
Rot. Bonds4

About 7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol

7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol (PubChem CID 20669197) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol.

Molecular Properties

Compound Name7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol
PubChem CID20669197
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol
SMILESCC(C)(OC(O)C1CCC2OC2C1)C1CCC2OC2C1
InChIInChI=1S/C16H26O4/c1-16(2,10-4-6-12-14(8-10)19-12)20-15(17)9-3-5-11-13(7-9)18-11/h9-15,17H,3-8H2,1-2H3
InChIKeyLVOMBOIHNQEITD-UHFFFAOYSA-N
XLogP2.23
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol?
The IUPAC name of 7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol (CID 20669197) is 7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol.
What is the SMILES notation for 7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol?
The canonical SMILES for 7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol is CC(C)(OC(O)C1CCC2OC2C1)C1CCC2OC2C1.
What is the InChIKey of 7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol?
The InChIKey is LVOMBOIHNQEITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-16(2,10-4-6-12-14(8-10)19-12)20-15(17)9-3-5-11-13(7-9)18-11/h9-15,17H,3-8H2,1-2H3.
What are the key properties of 7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol?
7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol has a molecular weight of 282.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxabicyclo[4.1.0]heptan-3-yl-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]methanol is sourced from PubChem (CID 20669197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).