6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene

C13H22O — CID 176618613

IUPAC6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene
SMILESC=C(C)COC1CC(CC)C=CC1C
InChIInChI=1S/C13H22O/c1-5-12-7-6-11(4)13(8-12)14-9-10(2)3/h6-7,11-13H,2,5,8-9H2,1,3-4H3
InChIKeyVNPWJELOAWKGOE-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.57
Rot. Bonds4

About 6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene

6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene (PubChem CID 176618613) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene.

Molecular Properties

Compound Name6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene
PubChem CID176618613
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene
SMILESC=C(C)COC1CC(CC)C=CC1C
InChIInChI=1S/C13H22O/c1-5-12-7-6-11(4)13(8-12)14-9-10(2)3/h6-7,11-13H,2,5,8-9H2,1,3-4H3
InChIKeyVNPWJELOAWKGOE-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene?
The IUPAC name of 6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene (CID 176618613) is 6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene.
What is the SMILES notation for 6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene?
The canonical SMILES for 6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene is C=C(C)COC1CC(CC)C=CC1C.
What is the InChIKey of 6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene?
The InChIKey is VNPWJELOAWKGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-5-12-7-6-11(4)13(8-12)14-9-10(2)3/h6-7,11-13H,2,5,8-9H2,1,3-4H3.
What are the key properties of 6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene?
6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene has a molecular weight of 194.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-4-(2-methylprop-2-enoxy)cyclohexene is sourced from PubChem (CID 176618613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).