(4R)-6-ethenoxy-1,4,5-trimethylcyclohexene

C11H18O — CID 155485152

IUPAC(4R)-6-ethenoxy-1,4,5-trimethylcyclohexene
SMILESC=COC1C(C)=CC[C@@H](C)C1C
InChIInChI=1S/C11H18O/c1-5-12-11-9(3)7-6-8(2)10(11)4/h5,7-8,10-11H,1,6H2,2-4H3/t8-,10?,11?/m1/s1
InChIKeyIFRMYSTUDBMBDI-MFAVDMRSSA-N
MW166.26 g/mol
LogP3.14
Rot. Bonds2

About (4R)-6-ethenoxy-1,4,5-trimethylcyclohexene

(4R)-6-ethenoxy-1,4,5-trimethylcyclohexene (PubChem CID 155485152) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (4R)-6-ethenoxy-1,4,5-trimethylcyclohexene.

Molecular Properties

Compound Name(4R)-6-ethenoxy-1,4,5-trimethylcyclohexene
PubChem CID155485152
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(4R)-6-ethenoxy-1,4,5-trimethylcyclohexene
SMILESC=COC1C(C)=CC[C@@H](C)C1C
InChIInChI=1S/C11H18O/c1-5-12-11-9(3)7-6-8(2)10(11)4/h5,7-8,10-11H,1,6H2,2-4H3/t8-,10?,11?/m1/s1
InChIKeyIFRMYSTUDBMBDI-MFAVDMRSSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.14
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

(4R,5R,6S)-6-ethenoxy-1,4,5-trimethylcyclohexene
CID 155573435
(2,5,6-trimethylcyclohex-2-en-1-yl) 3-oxobutanoate
CID 172538683
(4S,6R)-6-ethenoxy-1-methyl-4-prop-1-en-2-ylcyclohexene
CID 14889719
(4S,7R,7aR)-3,7-dimethyl-4-(2-methylprop-1-enyl)-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 58067904
(3aS,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene
CID 162906895
2,5-dimethylcyclohex-2-ene-1-carbaldehyde
CID 174601075
2,7-dimethylbicyclo[4.1.0]hept-2-ene
CID 13427831
(4S,5S,6S,7R)-6-methoxy-4,5,7-trimethylcyclohepten-1-amine
CID 163863407
4,5-dimethylcyclohept-3-ene-1-carbaldehyde
CID 143847275
1,2,4,7,8,9-hexamethylcyclonona-1,4-diene
CID 123566632
5-tert-butyl-3,8-dimethyl-1,3a,4,7,8,8a-hexahydroazulene
CID 91748558
(3S,4aR,8S,8aR)-3,5,8-trimethyl-3,4,4a,7,8,8a-hexahydroisochromen-1-one
CID 101100069

Frequently Asked Questions

What is the IUPAC name of (4R)-6-ethenoxy-1,4,5-trimethylcyclohexene?
The IUPAC name of (4R)-6-ethenoxy-1,4,5-trimethylcyclohexene (CID 155485152) is (4R)-6-ethenoxy-1,4,5-trimethylcyclohexene.
What is the SMILES notation for (4R)-6-ethenoxy-1,4,5-trimethylcyclohexene?
The canonical SMILES for (4R)-6-ethenoxy-1,4,5-trimethylcyclohexene is C=COC1C(C)=CC[C@@H](C)C1C.
What is the InChIKey of (4R)-6-ethenoxy-1,4,5-trimethylcyclohexene?
The InChIKey is IFRMYSTUDBMBDI-MFAVDMRSSA-N. The full InChI is InChI=1S/C11H18O/c1-5-12-11-9(3)7-6-8(2)10(11)4/h5,7-8,10-11H,1,6H2,2-4H3/t8-,10?,11?/m1/s1.
What are the key properties of (4R)-6-ethenoxy-1,4,5-trimethylcyclohexene?
(4R)-6-ethenoxy-1,4,5-trimethylcyclohexene has a molecular weight of 166.26 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-ethenoxy-1,4,5-trimethylcyclohexene is sourced from PubChem (CID 155485152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).