3-(1-ethoxyethoxy)-6-ethylcyclohexene

C12H22O2 — CID 123637853

IUPAC3-(1-ethoxyethoxy)-6-ethylcyclohexene
SMILESCCOC(C)OC1C=CC(CC)CC1
InChIInChI=1S/C12H22O2/c1-4-11-6-8-12(9-7-11)14-10(3)13-5-2/h6,8,10-12H,4-5,7,9H2,1-3H3
InChIKeyJOYQZUOYUAWESN-UHFFFAOYSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds5

About 3-(1-ethoxyethoxy)-6-ethylcyclohexene

3-(1-ethoxyethoxy)-6-ethylcyclohexene (PubChem CID 123637853) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(1-ethoxyethoxy)-6-ethylcyclohexene.

Molecular Properties

Compound Name3-(1-ethoxyethoxy)-6-ethylcyclohexene
PubChem CID123637853
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name3-(1-ethoxyethoxy)-6-ethylcyclohexene
SMILESCCOC(C)OC1C=CC(CC)CC1
InChIInChI=1S/C12H22O2/c1-4-11-6-8-12(9-7-11)14-10(3)13-5-2/h6,8,10-12H,4-5,7,9H2,1-3H3
InChIKeyJOYQZUOYUAWESN-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Perillaldehyde propyleneglycol acetal
CID 71587448
5-Ethyl-2-prop-1-enyl-4-propyl-1,3-dioxane
CID 221667
4-(Diethoxymethyl)cyclohexene
CID 227857
1,3-Dioxolane, 2-(3-cyclohexen-1-yl)-4-[(2-propenyloxy)methyl]-
CID 247391
Methyl (2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl) carbonate
CID 11106628
6-methoxy-2-pentyl-3,6-dihydro-2H-pyran
CID 12462321
(E)-8-(methoxymethoxy)tridec-6-ene
CID 13267433
(2S,3S,6R)-2-[(2S)-4-iodobutan-2-yl]-6-methoxy-3-methyl-3,6-dihydro-2H-pyran
CID 16220679
(E)-3-[(4S,5S,6S)-2,2,5-trimethyl-6-propyl-1,3-dioxan-4-yl]prop-2-en-1-ol
CID 44604557
(3R,6S)-3-ethyl-1,7-dioxaspiro[5.5]undec-10-ene
CID 101608922
8a-Methoxy-4a,5,6,7,8,8a-hexahydrochromene
CID 129871280
7,8-Dimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 131852235

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethoxy)-6-ethylcyclohexene?
The IUPAC name of 3-(1-ethoxyethoxy)-6-ethylcyclohexene (CID 123637853) is 3-(1-ethoxyethoxy)-6-ethylcyclohexene.
What is the SMILES notation for 3-(1-ethoxyethoxy)-6-ethylcyclohexene?
The canonical SMILES for 3-(1-ethoxyethoxy)-6-ethylcyclohexene is CCOC(C)OC1C=CC(CC)CC1.
What is the InChIKey of 3-(1-ethoxyethoxy)-6-ethylcyclohexene?
The InChIKey is JOYQZUOYUAWESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-11-6-8-12(9-7-11)14-10(3)13-5-2/h6,8,10-12H,4-5,7,9H2,1-3H3.
What are the key properties of 3-(1-ethoxyethoxy)-6-ethylcyclohexene?
3-(1-ethoxyethoxy)-6-ethylcyclohexene has a molecular weight of 198.31 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethoxy)-6-ethylcyclohexene is sourced from PubChem (CID 123637853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).