ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate

C10H16O3 — CID 130627068

IUPACethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
SMILESCCOC(=O)C1(C)CC2CCC1O2
InChIInChI=1S/C10H16O3/c1-3-12-9(11)10(2)6-7-4-5-8(10)13-7/h7-8H,3-6H2,1-2H3
InChIKeyOKSHNRWCYWSQLX-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.51
Rot. Bonds2

About ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate

ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 130627068) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
PubChem CID130627068
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate
SMILESCCOC(=O)C1(C)CC2CCC1O2
InChIInChI=1S/C10H16O3/c1-3-12-9(11)10(2)6-7-4-5-8(10)13-7/h7-8H,3-6H2,1-2H3
InChIKeyOKSHNRWCYWSQLX-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 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

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Related Compounds

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ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
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ethyl 4-amino-3-methyloxolane-3-carboxylate
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ethyl 1-(4,4,6-trimethyl-1,3-oxazinan-2-yl)cyclopropane-1-carboxylate
CID 86716165
ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
CID 6932755
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
ethyl 2-ethoxy-1-methylcyclopentane-1-carboxylate
CID 141101066
ethyl 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
ethyl 2-ethyl-5-methyl-1-oxaspiro[2.4]heptane-2-carboxylate
CID 79298034
2-(methoxymethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 126977342

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate (CID 130627068) is ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate is CCOC(=O)C1(C)CC2CCC1O2.
What is the InChIKey of ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is OKSHNRWCYWSQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-12-9(11)10(2)6-7-4-5-8(10)13-7/h7-8H,3-6H2,1-2H3.
What are the key properties of ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate?
ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate 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 ethyl 2-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 130627068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).