3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene

C14H24O — CID 155440604

IUPAC3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene
SMILESCCOC(C)C1(C)C=C2CCCC(C2)C1
InChIInChI=1S/C14H24O/c1-4-15-11(2)14(3)9-12-6-5-7-13(8-12)10-14/h9,11,13H,4-8,10H2,1-3H3
InChIKeyXMHLHZRAPWCALJ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.94
Rot. Bonds3

About 3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene

3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene (PubChem CID 155440604) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene
PubChem CID155440604
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene
SMILESCCOC(C)C1(C)C=C2CCCC(C2)C1
InChIInChI=1S/C14H24O/c1-4-15-11(2)14(3)9-12-6-5-7-13(8-12)10-14/h9,11,13H,4-8,10H2,1-3H3
InChIKeyXMHLHZRAPWCALJ-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2H-Pyran, tetrahydro-4-methylene-2-[(2,2,3-trimethyl-3-cyclopenten-1-yl)methyl]-
CID 24990784
6,6-Dimethyl-2-(2-propoxyethyl)bicyclo[3.1.1]hept-2-ene
CID 15410424
2-(2-Ethoxyethyl)-6,6-dimethylbicyclo[3.1.1]hept-2-ene
CID 15410423
6-Methyl-4-(4-methylcyclohex-3-en-1-yl)-3-oxabicyclo[3.3.1]non-6-ene
CID 2828531
1,5-Diethyl-3-methyl-3-[1-(2,2,2-trifluoroethoxy)ethyl]cyclohexene
CID 123843123
3-Fluoro-1-(4-methoxycyclohexyl)-4-methylcyclohexene
CID 144809374
5-(Ethoxymethyl)-7-fluorobicyclo[3.3.1]non-1-ene
CID 168881216
3-Methylbicyclo[3.3.1]non-4-en-2-ol
CID 123346760
(2S,4S,6R)-2,4,10-trimethyl-1-oxaspiro[5.5]undec-9-ene
CID 10774208
[(1R,2S,3E,6Z,9Z)-1-methoxy-2,4,6-trimethylundeca-3,6,9-trienyl]cyclohexane
CID 46894185
(2S,6S)-2-cyclohexyl-6-methyl-4-methylideneoxane
CID 102186272
2-Cyclohexyl-7-[(2-methylpropan-2-yl)oxy]bicyclo[2.2.1]hepta-2,5-diene
CID 134857056

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene?
The IUPAC name of 3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene (CID 155440604) is 3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene.
What is the SMILES notation for 3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene?
The canonical SMILES for 3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene is CCOC(C)C1(C)C=C2CCCC(C2)C1.
What is the InChIKey of 3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene?
The InChIKey is XMHLHZRAPWCALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-15-11(2)14(3)9-12-6-5-7-13(8-12)10-14/h9,11,13H,4-8,10H2,1-3H3.
What are the key properties of 3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene?
3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene has a molecular weight of 208.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-3-methylbicyclo[3.3.1]non-1-ene is sourced from PubChem (CID 155440604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).