(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate

C10H16O3 — CID 88913612

IUPAC(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate
SMILESCC(=O)OCC1CCC2(C)OC2C1
InChIInChI=1S/C10H16O3/c1-7(11)12-6-8-3-4-10(2)9(5-8)13-10/h8-9H,3-6H2,1-2H3
InChIKeyWONGUFGWMNXOAR-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds2

About (6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate

(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate (PubChem CID 88913612) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate.

Molecular Properties

Compound Name(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate
PubChem CID88913612
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate
SMILESCC(=O)OCC1CCC2(C)OC2C1
InChIInChI=1S/C10H16O3/c1-7(11)12-6-8-3-4-10(2)9(5-8)13-10/h8-9H,3-6H2,1-2H3
InChIKeyWONGUFGWMNXOAR-UHFFFAOYSA-N
XLogP1.51
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.51
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

4-Methyl-7-oxabicyclo[4.1.0]heptane-3-methanol acetate
CID 66050
3,4-Epoxy-6-methylcyclohexylmethyl acetate
CID 139033570
1,2-Epoxymenthyl acetate
CID 85239073
[(1R,2R,3S,6S)-6-methyl-3-propan-2-yl-7-oxabicyclo[4.1.0]heptan-2-yl] acetate
CID 10703765
7-Oxabicyclo(4.1.0)heptane-3-methanol, acetate
CID 156585
Methyl 3,4-epoxy-4-methylcyclohexanecarboxylate
CID 21251770
alpha,alpha,6-Trimethyl-7-oxabicyclo(4.1.0)heptane-3-methyl acetate
CID 538935
(+)-1,2-Epoxyneomenthyl acetate
CID 157009949
beta,6-Dimethyl-7-oxabicyclo(4.1.0)heptane-3-ethyl acetate
CID 94021
(6-Methyl-7-oxabicyclo[4.1.0]heptan-3-yl) acetate
CID 15748111
3-[(2-Methylpropan-2-yl)oxymethyl]-7-oxabicyclo[4.1.0]heptane
CID 23111977
1-Methyl-4-(propoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 59735557

Frequently Asked Questions

What is the IUPAC name of (6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate?
The IUPAC name of (6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate (CID 88913612) is (6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate.
What is the SMILES notation for (6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate?
The canonical SMILES for (6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate is CC(=O)OCC1CCC2(C)OC2C1.
What is the InChIKey of (6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate?
The InChIKey is WONGUFGWMNXOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(11)12-6-8-3-4-10(2)9(5-8)13-10/h8-9H,3-6H2,1-2H3.
What are the key properties of (6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate?
(6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate has a molecular weight of 184.23 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-7-oxabicyclo[4.1.0]heptan-3-yl)methyl acetate is sourced from PubChem (CID 88913612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).