methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate

C15H24O2 — CID 134224287

IUPACmethyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCC1CC(C)C2C3CC(CC3C(=O)OC)C12
InChIInChI=1S/C15H24O2/c1-4-9-5-8(2)13-11-6-10(14(9)13)7-12(11)15(16)17-3/h8-14H,4-7H2,1-3H3
InChIKeyLEWBEFVNTCCKMN-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.11
Rot. Bonds2

About methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate

methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate (PubChem CID 134224287) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate
PubChem CID134224287
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Namemethyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate
SMILESCCC1CC(C)C2C3CC(CC3C(=O)OC)C12
InChIInChI=1S/C15H24O2/c1-4-9-5-8(2)13-11-6-10(14(9)13)7-12(11)15(16)17-3/h8-14H,4-7H2,1-3H3
InChIKeyLEWBEFVNTCCKMN-UHFFFAOYSA-N
XLogP3.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The IUPAC name of methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate (CID 134224287) is methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate.
What is the SMILES notation for methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The canonical SMILES for methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate is CCC1CC(C)C2C3CC(CC3C(=O)OC)C12.
What is the InChIKey of methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate?
The InChIKey is LEWBEFVNTCCKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-9-5-8(2)13-11-6-10(14(9)13)7-12(11)15(16)17-3/h8-14H,4-7H2,1-3H3.
What are the key properties of methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate?
methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate has a molecular weight of 236.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-5-methyltricyclo[5.2.1.02,6]decane-8-carboxylate is sourced from PubChem (CID 134224287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).