methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate

C13H22O2 — CID 123912108

IUPACmethyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate
SMILESCCC1CC2CCCC(C(=O)OC)(C1)C2
InChIInChI=1S/C13H22O2/c1-3-10-7-11-5-4-6-13(8-10,9-11)12(14)15-2/h10-11H,3-9H2,1-2H3
InChIKeySLOQQEPBLXRPKN-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.16
Rot. Bonds2

About methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate

methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate (PubChem CID 123912108) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate
PubChem CID123912108
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Namemethyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate
SMILESCCC1CC2CCCC(C(=O)OC)(C1)C2
InChIInChI=1S/C13H22O2/c1-3-10-7-11-5-4-6-13(8-10,9-11)12(14)15-2/h10-11H,3-9H2,1-2H3
InChIKeySLOQQEPBLXRPKN-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate?
The IUPAC name of methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate (CID 123912108) is methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate.
What is the SMILES notation for methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate?
The canonical SMILES for methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate is CCC1CC2CCCC(C(=O)OC)(C1)C2.
What is the InChIKey of methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate?
The InChIKey is SLOQQEPBLXRPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-3-10-7-11-5-4-6-13(8-10,9-11)12(14)15-2/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate?
methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate has a molecular weight of 210.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethylbicyclo[3.3.1]nonane-1-carboxylate is sourced from PubChem (CID 123912108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).