(1-ethenoxy-3-methylbut-3-enyl)cyclohexane

C13H22O — CID 102186268

IUPAC(1-ethenoxy-3-methylbut-3-enyl)cyclohexane
SMILESC=COC(CC(=C)C)C1CCCCC1
InChIInChI=1S/C13H22O/c1-4-14-13(10-11(2)3)12-8-6-5-7-9-12/h4,12-13H,1-2,5-10H2,3H3
InChIKeyMYJPEEQBTHSGBP-UHFFFAOYSA-N
MW194.32 g/mol
LogP4.06
Rot. Bonds5

About (1-ethenoxy-3-methylbut-3-enyl)cyclohexane

(1-ethenoxy-3-methylbut-3-enyl)cyclohexane (PubChem CID 102186268) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (1-ethenoxy-3-methylbut-3-enyl)cyclohexane.

Molecular Properties

Compound Name(1-ethenoxy-3-methylbut-3-enyl)cyclohexane
PubChem CID102186268
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(1-ethenoxy-3-methylbut-3-enyl)cyclohexane
SMILESC=COC(CC(=C)C)C1CCCCC1
InChIInChI=1S/C13H22O/c1-4-14-13(10-11(2)3)12-8-6-5-7-9-12/h4,12-13H,1-2,5-10H2,3H3
InChIKeyMYJPEEQBTHSGBP-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
(1-Methoxy-vinyl)-cyclohexane
CID 18381009
Cyclohexanemethanol, alpha-(2-methylallyl)-
CID 565338
[(Z)-1-deuterio-3-methylpent-1-enoxy]methylcyclohexane
CID 14970181
Oxabicyclo[10.4.0]hexadecene
CID 129803099
[2-Methyl-1-(2-methylprop-2-enoxy)prop-2-enyl]cyclohexane
CID 20816777
Cyclohexyl divinyl ether
CID 57018671
1-(Methoxymethyl)-4-methylidenecyclohexane
CID 10725435
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
(1-Methoxy-3-buten-1-yl)cyclohexane
CID 10442090
1-Ethenoxy-1-prop-2-enylcyclohexane
CID 11535617
(1S)-1-cyclohexyl-3-methylbut-3-en-1-ol
CID 13693325

Frequently Asked Questions

What is the IUPAC name of (1-ethenoxy-3-methylbut-3-enyl)cyclohexane?
The IUPAC name of (1-ethenoxy-3-methylbut-3-enyl)cyclohexane (CID 102186268) is (1-ethenoxy-3-methylbut-3-enyl)cyclohexane.
What is the SMILES notation for (1-ethenoxy-3-methylbut-3-enyl)cyclohexane?
The canonical SMILES for (1-ethenoxy-3-methylbut-3-enyl)cyclohexane is C=COC(CC(=C)C)C1CCCCC1.
What is the InChIKey of (1-ethenoxy-3-methylbut-3-enyl)cyclohexane?
The InChIKey is MYJPEEQBTHSGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-14-13(10-11(2)3)12-8-6-5-7-9-12/h4,12-13H,1-2,5-10H2,3H3.
What are the key properties of (1-ethenoxy-3-methylbut-3-enyl)cyclohexane?
(1-ethenoxy-3-methylbut-3-enyl)cyclohexane has a molecular weight of 194.32 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethenoxy-3-methylbut-3-enyl)cyclohexane is sourced from PubChem (CID 102186268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).