3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene

C18H34O3 — CID 71044018

IUPAC3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene
SMILESCCCCC(CC)COC1C(OC)=CC(CC)CC1OC
InChIInChI=1S/C18H34O3/c1-6-9-10-14(7-2)13-21-18-16(19-4)11-15(8-3)12-17(18)20-5/h11,14-15,17-18H,6-10,12-13H2,1-5H3
InChIKeyKJEVZSYYMUUXJT-UHFFFAOYSA-N
MW298.47 g/mol
LogP4.56
Rot. Bonds10

About 3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene

3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene (PubChem CID 71044018) has the molecular formula C18H34O3 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene.

Molecular Properties

Compound Name3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene
PubChem CID71044018
Molecular FormulaC18H34O3
Molecular Weight298.47 g/mol
Exact Mass298.25
IUPAC Name3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene
SMILESCCCCC(CC)COC1C(OC)=CC(CC)CC1OC
InChIInChI=1S/C18H34O3/c1-6-9-10-14(7-2)13-21-18-16(19-4)11-15(8-3)12-17(18)20-5/h11,14-15,17-18H,6-10,12-13H2,1-5H3
InChIKeyKJEVZSYYMUUXJT-UHFFFAOYSA-N
XLogP4.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene?
The IUPAC name of 3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene (CID 71044018) is 3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene.
What is the SMILES notation for 3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene?
The canonical SMILES for 3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene is CCCCC(CC)COC1C(OC)=CC(CC)CC1OC.
What is the InChIKey of 3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene?
The InChIKey is KJEVZSYYMUUXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O3/c1-6-9-10-14(7-2)13-21-18-16(19-4)11-15(8-3)12-17(18)20-5/h11,14-15,17-18H,6-10,12-13H2,1-5H3.
What are the key properties of 3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene?
3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene has a molecular weight of 298.47 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2-ethylhexoxy)-1,5-dimethoxycyclohexene is sourced from PubChem (CID 71044018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).