3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane

C14H22O3 — CID 152585972

IUPAC3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane
SMILESCC1CC2OC2CC1OC1(C)CCC2OC2C1
InChIInChI=1S/C14H22O3/c1-8-5-11-12(16-11)6-10(8)17-14(2)4-3-9-13(7-14)15-9/h8-13H,3-7H2,1-2H3
InChIKeyYULPFNVXUYVYEE-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.28
Rot. Bonds2

About 3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane

3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane (PubChem CID 152585972) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane
PubChem CID152585972
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane
SMILESCC1CC2OC2CC1OC1(C)CCC2OC2C1
InChIInChI=1S/C14H22O3/c1-8-5-11-12(16-11)6-10(8)17-14(2)4-3-9-13(7-14)15-9/h8-13H,3-7H2,1-2H3
InChIKeyYULPFNVXUYVYEE-UHFFFAOYSA-N
XLogP2.28
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.28
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane (CID 152585972) is 3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane is CC1CC2OC2CC1OC1(C)CCC2OC2C1.
What is the InChIKey of 3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane?
The InChIKey is YULPFNVXUYVYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-8-5-11-12(16-11)6-10(8)17-14(2)4-3-9-13(7-14)15-9/h8-13H,3-7H2,1-2H3.
What are the key properties of 3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane?
3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane has a molecular weight of 238.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[(4-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)oxy]-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 152585972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).