3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane

C18H30O3 — CID 23111976

IUPAC3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane
SMILESCC(CC1CCC2OC2C1)OC(C)CC1CCC2OC2C1
InChIInChI=1S/C18H30O3/c1-11(7-13-3-5-15-17(9-13)20-15)19-12(2)8-14-4-6-16-18(10-14)21-16/h11-18H,3-10H2,1-2H3
InChIKeyYHRUHECMPBJOCV-UHFFFAOYSA-N
MW294.43 g/mol
LogP3.70
Rot. Bonds6

About 3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane

3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane (PubChem CID 23111976) has the molecular formula C18H30O3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane
PubChem CID23111976
Molecular FormulaC18H30O3
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane
SMILESCC(CC1CCC2OC2C1)OC(C)CC1CCC2OC2C1
InChIInChI=1S/C18H30O3/c1-11(7-13-3-5-15-17(9-13)20-15)19-12(2)8-14-4-6-16-18(10-14)21-16/h11-18H,3-10H2,1-2H3
InChIKeyYHRUHECMPBJOCV-UHFFFAOYSA-N
XLogP3.70
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.70
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

Vinyl cyclohexene dioxide
CID 7833
2,2-Bis(3,4-epoxycyclohexyl)propane
CID 11390727
7,7'-Dioxa-3,3'-bi(bicyclo[4.1.0]heptane)
CID 18952580
Epoxycyclohexylmethyl-3,4-epoxycyclohexane
CID 129713770
Ethyleneoxy 3,4-epoxycyclohexane
CID 129774595
4,4'-(Oxybis(methylene))bis(7-oxabicyclo(4.1.0)heptane)
CID 22381519
3-[[1,1,2,2,3,3,4,4-Octafluoro-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxy]methyl]-7-oxabicyclo[4.1.0]heptane
CID 58895073
3-[[1,1,2,2,4,4-Hexafluoro-4-(7-oxabicyclo[4.1.0]heptan-3-ylmethoxy)butoxy]methyl]-7-oxabicyclo[4.1.0]heptane
CID 88972121
(1R,6R)-3-(oxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 91311508
3-Methyl-4-[(7-oxabicyclo[4.1.0]hept-3-ylmethoxy)methyl]-7-oxabicyclo[4.1.0]heptane
CID 235377
4,10-Dioxatetracyclo[5.5.0.03,5.09,11]dodecane
CID 11521145
3-[2-(7-Oxabicyclo[4.1.0]heptan-3-ylmethoxy)ethoxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 13627563

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane (CID 23111976) is 3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane is CC(CC1CCC2OC2C1)OC(C)CC1CCC2OC2C1.
What is the InChIKey of 3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is YHRUHECMPBJOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c1-11(7-13-3-5-15-17(9-13)20-15)19-12(2)8-14-4-6-16-18(10-14)21-16/h11-18H,3-10H2,1-2H3.
What are the key properties of 3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane?
3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 294.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(7-oxabicyclo[4.1.0]heptan-3-yl)propan-2-yloxy]propyl]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 23111976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).