5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane

C18H30O2 — CID 59720815

IUPAC5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane
SMILESCC1CC(C(C)C2CC(C)CC3(C)OC23)C2OC2(C)C1
InChIInChI=1S/C18H30O2/c1-10-6-13(15-17(4,8-10)19-15)12(3)14-7-11(2)9-18(5)16(14)20-18/h10-16H,6-9H2,1-5H3
InChIKeyUTBVPSZGNZWUFF-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.03
Rot. Bonds2

About 5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane

5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane (PubChem CID 59720815) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane
PubChem CID59720815
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane
SMILESCC1CC(C(C)C2CC(C)CC3(C)OC23)C2OC2(C)C1
InChIInChI=1S/C18H30O2/c1-10-6-13(15-17(4,8-10)19-15)12(3)14-7-11(2)9-18(5)16(14)20-18/h10-16H,6-9H2,1-5H3
InChIKeyUTBVPSZGNZWUFF-UHFFFAOYSA-N
XLogP4.03
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.03
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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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane (CID 59720815) is 5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane is CC1CC(C(C)C2CC(C)CC3(C)OC23)C2OC2(C)C1.
What is the InChIKey of 5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is UTBVPSZGNZWUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-10-6-13(15-17(4,8-10)19-15)12(3)14-7-11(2)9-18(5)16(14)20-18/h10-16H,6-9H2,1-5H3.
What are the key properties of 5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane?
5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 278.44 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4,6-dimethyl-7-oxabicyclo[4.1.0]heptan-2-yl)ethyl]-1,3-dimethyl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 59720815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).