1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

C10H16O2 — CID 7275

IUPAC1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
SMILESCC1OC1C1CCC2(C)OC2C1
InChIInChI=1S/C10H16O2/c1-6-9(11-6)7-3-4-10(2)8(5-7)12-10/h6-9H,3-5H2,1-2H3
InChIKeyYIEDFHHVUWKOEV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.73
Rot. Bonds1

About 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane

1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane (PubChem CID 7275) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
PubChem CID7275
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane
SMILESCC1OC1C1CCC2(C)OC2C1
InChIInChI=1S/C10H16O2/c1-6-9(11-6)7-3-4-10(2)8(5-7)12-10/h6-9H,3-5H2,1-2H3
InChIKeyYIEDFHHVUWKOEV-UHFFFAOYSA-N
XLogP1.73
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Vinyl cyclohexene dioxide
CID 7833
Limonene diepoxide
CID 232703
Isoascaridole
CID 12314661
p-Menthane, 1,2:3,4-diepoxy-
CID 351031
p-Menth-1-ene oxide
CID 524011
7-Oxabicyclo[4.1.0]heptane-3-methanol, alpha,alpha,6-trimethyl-
CID 93790
cis-Limonen-1,2-oxide
CID 11744851
(4R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo(4.1.0)heptane
CID 70700532
trans-Limonen oxide
CID 6429145
1-Isopropyl-4-methyl-7-oxa-bicyclo[4.1.0]heptane
CID 521074
alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate
CID 538935
trans-Limonen-1,2-oxide
CID 91751113

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane (CID 7275) is 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane is CC1OC1C1CCC2(C)OC2C1.
What is the InChIKey of 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane?
The InChIKey is YIEDFHHVUWKOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-9(11-6)7-3-4-10(2)8(5-7)12-10/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane?
1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane has a molecular weight of 168.24 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 7275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).