5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane]

C16H24O3 — CID 154980483

IUPAC5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane]
SMILESC1CC2(CCC3OC3C2)OCC1C1CCC2OC2C1
InChIInChI=1S/C16H24O3/c1-2-12-14(18-12)7-10(1)11-3-5-16(17-9-11)6-4-13-15(8-16)19-13/h10-15H,1-9H2
InChIKeyMJIJKXCYSNSBED-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.67
Rot. Bonds1

About 5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane]

5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane] (PubChem CID 154980483) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane].

Molecular Properties

Compound Name5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane]
PubChem CID154980483
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane]
SMILESC1CC2(CCC3OC3C2)OCC1C1CCC2OC2C1
InChIInChI=1S/C16H24O3/c1-2-12-14(18-12)7-10(1)11-3-5-16(17-9-11)6-4-13-15(8-16)19-13/h10-15H,1-9H2
InChIKeyMJIJKXCYSNSBED-UHFFFAOYSA-N
XLogP2.67
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopropyl-7-oxabicyclo[4.1.0]heptane
CID 88535344
2'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,5'-cyclohexane]-1',3'-diol
CID 18182975
3-[2-(7-oxabicyclo[4.1.0]heptan-3-yl)-1,3-dioxan-5-yl]-7-oxabicyclo[4.1.0]heptane
CID 20724004
CID 159242173
CID 159242173
3-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 19973707
(1S,7S)-4'-methylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125451798
(1S,3'R,4S,7R)-3'-methylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125454992
(1R,7S)-4'-ethylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125451940
(1R,7R)-4'-tert-butylspiro[3-oxabicyclo[5.1.0]octane-4,1'-cyclohexane]
CID 125453967
3-(7-oxabicyclo[4.1.0]heptan-3-yl)cyclohexan-1-ol
CID 89082378
3-(1,4-dioxan-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 150634021
spiro[1,3-dioxolane-2,3'-7-oxabicyclo[4.1.0]heptane]
CID 13062431

Frequently Asked Questions

What is the IUPAC name of 5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane]?
The IUPAC name of 5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane] (CID 154980483) is 5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane].
What is the SMILES notation for 5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane]?
The canonical SMILES for 5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane] is C1CC2(CCC3OC3C2)OCC1C1CCC2OC2C1.
What is the InChIKey of 5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane]?
The InChIKey is MJIJKXCYSNSBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-12-14(18-12)7-10(1)11-3-5-16(17-9-11)6-4-13-15(8-16)19-13/h10-15H,1-9H2.
What are the key properties of 5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane]?
5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane] has a molecular weight of 264.36 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(7-oxabicyclo[4.1.0]heptan-3-yl)spiro[7-oxabicyclo[4.1.0]heptane-3,2'-oxane] is sourced from PubChem (CID 154980483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).