ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate

C12H16O2 — CID 143605587

IUPACethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate
SMILESCCOC(=O)C12CC3CC4CC(C1)C432
InChIInChI=1S/C12H16O2/c1-2-14-10(13)11-5-8-3-7-4-9(6-11)12(7,8)11/h7-9H,2-6H2,1H3
InChIKeyXCJXOGXFHAGZSF-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.99
Rot. Bonds2

About ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate

ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate (PubChem CID 143605587) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate.

Molecular Properties

Compound Nameethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate
PubChem CID143605587
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Nameethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate
SMILESCCOC(=O)C12CC3CC4CC(C1)C432
InChIInChI=1S/C12H16O2/c1-2-14-10(13)11-5-8-3-7-4-9(6-11)12(7,8)11/h7-9H,2-6H2,1H3
InChIKeyXCJXOGXFHAGZSF-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
CID 143508275
ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate
CID 130703819
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 3-aminobicyclo[1.1.1]pentane-1-carboxylate
CID 122237424
ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
CID 103563412
ethyl (1R,4R)-2,2-difluorobicyclo[2.1.0]pentane-1-carboxylate
CID 10678846
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
8a-ethoxycarbonyl-1,2,3,4,5,6,7,8-octahydronaphthalene-4a-carboxylic acid
CID 12859727
ethyl 2-amino-1-cyclopentyl-2-methylcyclopropane-1-carboxylate
CID 174606518
ethyl (1S,3S)-1-hydroxybicyclo[3.1.0]hexane-3-carboxylate
CID 12003105
cis-ethyl (1R,2S)-1-amino-2-ethylsulfonylcyclopropane-1-carboxylate
CID 99998706
ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate
CID 123166470

Frequently Asked Questions

What is the IUPAC name of ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate?
The IUPAC name of ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate (CID 143605587) is ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate.
What is the SMILES notation for ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate?
The canonical SMILES for ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate is CCOC(=O)C12CC3CC4CC(C1)C432.
What is the InChIKey of ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate?
The InChIKey is XCJXOGXFHAGZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-2-14-10(13)11-5-8-3-7-4-9(6-11)12(7,8)11/h7-9H,2-6H2,1H3.
What are the key properties of ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate?
ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate has a molecular weight of 192.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl tetracyclo[3.3.1.03,9.07,9]nonane-1-carboxylate is sourced from PubChem (CID 143605587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).