4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane

C15H24O2 — CID 21344282

IUPAC4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane
SMILESC1CC2OC2CCC1CC1CCC2OC2CC1
InChIInChI=1S/C15H24O2/c1-5-12-13(16-12)6-2-10(1)9-11-3-7-14-15(17-14)8-4-11/h10-15H,1-9H2
InChIKeyPGHXAZVOICXILW-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.29
Rot. Bonds2

About 4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane

4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane (PubChem CID 21344282) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane.

Molecular Properties

Compound Name4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane
PubChem CID21344282
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane
SMILESC1CC2OC2CCC1CC1CCC2OC2CC1
InChIInChI=1S/C15H24O2/c1-5-12-13(16-12)6-2-10(1)9-11-3-7-14-15(17-14)8-4-11/h10-15H,1-9H2
InChIKeyPGHXAZVOICXILW-UHFFFAOYSA-N
XLogP3.29
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
3-[(Z)-2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethenyl]-7-oxabicyclo[4.1.0]heptane;3-(7-oxabicyclo[4.1.0]heptan-3-ylmethyl)-7-oxabicyclo[4.1.0]heptane;3-(7-oxabicyclo[4.1.0]heptan-3-yl)-7-oxabicyclo[4.1.0]heptane
CID 160856686
(1S,4S,6R,10R)-5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 7098824
5,11-dioxatricyclo[8.1.0.04,6]undecane
CID 3319750
N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine
CID 155475971
cyclopentane;7-oxabicyclo[4.1.0]heptan-3-ylmethanol
CID 21219626
CID 45052171
CID 45052171
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
4-(cyclopropylmethyl)cyclohexan-1-amine
CID 126845684
3-[(3-ethoxycyclohexyl)methyl]-7-oxabicyclo[4.1.0]heptane
CID 142638254
3-(3,3,3-trimethoxypropyl)-7-oxabicyclo[4.1.0]heptane
CID 146705904
3-[4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 21422024

Frequently Asked Questions

What is the IUPAC name of 4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane?
The IUPAC name of 4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane (CID 21344282) is 4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane.
What is the SMILES notation for 4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane?
The canonical SMILES for 4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane is C1CC2OC2CCC1CC1CCC2OC2CC1.
What is the InChIKey of 4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane?
The InChIKey is PGHXAZVOICXILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-5-12-13(16-12)6-2-10(1)9-11-3-7-14-15(17-14)8-4-11/h10-15H,1-9H2.
What are the key properties of 4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane?
4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane has a molecular weight of 236.35 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxabicyclo[5.1.0]octan-4-ylmethyl)-8-oxabicyclo[5.1.0]octane is sourced from PubChem (CID 21344282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).