methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate

C9H14O3 — CID 13163798

IUPACmethyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate
SMILESCOC(=O)CC1(C)CCC2OC21
InChIInChI=1S/C9H14O3/c1-9(5-7(10)11-2)4-3-6-8(9)12-6/h6,8H,3-5H2,1-2H3
InChIKeyYMFCQGJDANYJPE-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.12
Rot. Bonds2

About methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate

methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate (PubChem CID 13163798) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate
PubChem CID13163798
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Namemethyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate
SMILESCOC(=O)CC1(C)CCC2OC21
InChIInChI=1S/C9H14O3/c1-9(5-7(10)11-2)4-3-6-8(9)12-6/h6,8H,3-5H2,1-2H3
InChIKeyYMFCQGJDANYJPE-UHFFFAOYSA-N
XLogP1.12
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.12
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 methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
The IUPAC name of methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate (CID 13163798) is methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate.
What is the SMILES notation for methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
The canonical SMILES for methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate is COC(=O)CC1(C)CCC2OC21.
What is the InChIKey of methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
The InChIKey is YMFCQGJDANYJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-9(5-7(10)11-2)4-3-6-8(9)12-6/h6,8H,3-5H2,1-2H3.
What are the key properties of methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate?
methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate has a molecular weight of 170.21 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methyl-6-oxabicyclo[3.1.0]hexan-2-yl)acetate is sourced from PubChem (CID 13163798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).