3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane

C11H18O — CID 147477215

IUPAC3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane
SMILESCCOCC12CC3CC(C1)C2C3
InChIInChI=1S/C11H18O/c1-2-12-7-11-5-8-3-9(6-11)10(11)4-8/h8-10H,2-7H2,1H3
InChIKeyFCXLKKOPIKBPSP-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.46
Rot. Bonds3

About 3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane

3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane (PubChem CID 147477215) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane.

Molecular Properties

Compound Name3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane
PubChem CID147477215
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane
SMILESCCOCC12CC3CC(C1)C2C3
InChIInChI=1S/C11H18O/c1-2-12-7-11-5-8-3-9(6-11)10(11)4-8/h8-10H,2-7H2,1H3
InChIKeyFCXLKKOPIKBPSP-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 70370662
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1-ethyl-2,4-dimethyladamantane
CID 90877999
N-[[3-(2-bicyclo[2.2.1]heptanyl)-3-bicyclo[3.1.0]hexanyl]methyl]ethanamine
CID 114246431
(1R,2R,4S,6R,7S,9S,11R,12S)-1,2-diethoxypentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 42602354
1-ethyladamantane-2,4-diol
CID 175122175
1-ethyltricyclo[2.2.1.02,6]heptane
CID 12951260
1-propyladamantan-2-amine
CID 141138737
3-[2-[6-(ethoxymethyl)-6-methyl-2-bicyclo[2.2.1]heptanyl]ethoxymethyl]bicyclo[3.3.1]nonane
CID 134285364
3-(ethoxymethyl)-3-fluorocyclobutan-1-amine
CID 112564075
ethoxy(1-tricyclo[3.3.1.03,7]nonanyl)methanamine
CID 163739415
CID 173183880
CID 173183880

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane?
The IUPAC name of 3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane (CID 147477215) is 3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane.
What is the SMILES notation for 3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane?
The canonical SMILES for 3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane is CCOCC12CC3CC(C1)C2C3.
What is the InChIKey of 3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane?
The InChIKey is FCXLKKOPIKBPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-12-7-11-5-8-3-9(6-11)10(11)4-8/h8-10H,2-7H2,1H3.
What are the key properties of 3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane?
3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane has a molecular weight of 166.26 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane is sourced from PubChem (CID 147477215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).