ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate

C12H18O2 — CID 143508275

IUPACethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
SMILESCCOC(=O)C12CC3CCC(C1)C32C
InChIInChI=1S/C12H18O2/c1-3-14-10(13)12-6-8-4-5-9(7-12)11(8,12)2/h8-9H,3-7H2,1-2H3
InChIKeyWXUVWVZMKUYUKJ-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.38
Rot. Bonds2

About ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate

ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate (PubChem CID 143508275) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
PubChem CID143508275
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nameethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
SMILESCCOC(=O)C12CC3CCC(C1)C32C
InChIInChI=1S/C12H18O2/c1-3-14-10(13)12-6-8-4-5-9(7-12)11(8,12)2/h8-9H,3-7H2,1-2H3
InChIKeyWXUVWVZMKUYUKJ-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
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ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
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ethyl (1S,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylate
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ethyl 1-(1-hydroxycyclopentyl)-3,3-dimethylcyclobutane-1-carboxylate
CID 165443747
triethyl 2-azabicyclo[2.2.1]heptane-2,3,3-tricarboxylate
CID 13258846
ethyl 1-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
CID 131964099
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl (1S)-2,2-difluoro-1-methylcyclopropane-1-carboxylate
CID 92980111
ethyl 2-amino-2-methylcyclopropane-1-carboxylate
CID 70501712
ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate
CID 130703819

Frequently Asked Questions

What is the IUPAC name of ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate?
The IUPAC name of ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate (CID 143508275) is ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate.
What is the SMILES notation for ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate?
The canonical SMILES for ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate is CCOC(=O)C12CC3CCC(C1)C32C.
What is the InChIKey of ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate?
The InChIKey is WXUVWVZMKUYUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-14-10(13)12-6-8-4-5-9(7-12)11(8,12)2/h8-9H,3-7H2,1-2H3.
What are the key properties of ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate?
ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate has a molecular weight of 194.27 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate is sourced from PubChem (CID 143508275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).