3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene

C13H24O — CID 91003484

IUPAC3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene
SMILESCCC1(C)CC(C)(C)CC(OC)=C1C
InChIInChI=1S/C13H24O/c1-7-13(5)9-12(3,4)8-11(14-6)10(13)2/h7-9H2,1-6H3
InChIKeyZEONYFJTTCZROD-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.14
Rot. Bonds2

About 3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene

3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene (PubChem CID 91003484) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene.

Molecular Properties

Compound Name3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene
PubChem CID91003484
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene
SMILESCCC1(C)CC(C)(C)CC(OC)=C1C
InChIInChI=1S/C13H24O/c1-7-13(5)9-12(3,4)8-11(14-6)10(13)2/h7-9H2,1-6H3
InChIKeyZEONYFJTTCZROD-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene?
The IUPAC name of 3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene (CID 91003484) is 3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene.
What is the SMILES notation for 3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene?
The canonical SMILES for 3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene is CCC1(C)CC(C)(C)CC(OC)=C1C.
What is the InChIKey of 3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene?
The InChIKey is ZEONYFJTTCZROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-7-13(5)9-12(3,4)8-11(14-6)10(13)2/h7-9H2,1-6H3.
What are the key properties of 3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene?
3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene has a molecular weight of 196.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methoxy-2,3,5,5-tetramethylcyclohexene is sourced from PubChem (CID 91003484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).