(6S)-3-ethyl-1,4,6-trimethylcyclohexene

C11H20 — CID 163545872

IUPAC(6S)-3-ethyl-1,4,6-trimethylcyclohexene
SMILESCCC1C=C(C)[C@@H](C)CC1C
InChIInChI=1S/C11H20/c1-5-11-7-9(3)8(2)6-10(11)4/h7-8,10-11H,5-6H2,1-4H3/t8-,10?,11?/m0/s1
InChIKeyFEYZNYYDYAFWDV-PUSIOWJLSA-N
MW152.28 g/mol
LogP3.63
Rot. Bonds1

About (6S)-3-ethyl-1,4,6-trimethylcyclohexene

(6S)-3-ethyl-1,4,6-trimethylcyclohexene (PubChem CID 163545872) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (6S)-3-ethyl-1,4,6-trimethylcyclohexene.

Molecular Properties

Compound Name(6S)-3-ethyl-1,4,6-trimethylcyclohexene
PubChem CID163545872
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(6S)-3-ethyl-1,4,6-trimethylcyclohexene
SMILESCCC1C=C(C)[C@@H](C)CC1C
InChIInChI=1S/C11H20/c1-5-11-7-9(3)8(2)6-10(11)4/h7-8,10-11H,5-6H2,1-4H3/t8-,10?,11?/m0/s1
InChIKeyFEYZNYYDYAFWDV-PUSIOWJLSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(6R)-1,3,4,6-tetramethylcyclohexene
CID 173301775
(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
CID 163464724
1-cyclobutyl-3-ethyl-4-methylcyclopentene
CID 163881123
2,3,6,7-tetramethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 144769271
5,6-diethyl-2,3-dimethylcyclohexa-1,3-diene
CID 142845653
(2S)-4-ethyl-1,2-dimethylcyclopentane
CID 149056409
5-ethyl-1,3-dimethylcycloheptene
CID 143264221
(1S,3R,7S,8S,8aR)-8-ethyl-3,5,7-trimethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-ol
CID 71133315
1,2-dimethylcyclopropane;propane
CID 143337919
(1R,6S)-6-(hydroxymethyl)-4-methylcyclohex-4-ene-1,3-diol
CID 131155270
3-ethyl-1,5-dimethylcyclohexene
CID 123667989
3,4-dimethyl-1,1b,2,3,5a,6-hexahydrocyclopropa[a]indene
CID 161485173

Frequently Asked Questions

What is the IUPAC name of (6S)-3-ethyl-1,4,6-trimethylcyclohexene?
The IUPAC name of (6S)-3-ethyl-1,4,6-trimethylcyclohexene (CID 163545872) is (6S)-3-ethyl-1,4,6-trimethylcyclohexene.
What is the SMILES notation for (6S)-3-ethyl-1,4,6-trimethylcyclohexene?
The canonical SMILES for (6S)-3-ethyl-1,4,6-trimethylcyclohexene is CCC1C=C(C)[C@@H](C)CC1C.
What is the InChIKey of (6S)-3-ethyl-1,4,6-trimethylcyclohexene?
The InChIKey is FEYZNYYDYAFWDV-PUSIOWJLSA-N. The full InChI is InChI=1S/C11H20/c1-5-11-7-9(3)8(2)6-10(11)4/h7-8,10-11H,5-6H2,1-4H3/t8-,10?,11?/m0/s1.
What are the key properties of (6S)-3-ethyl-1,4,6-trimethylcyclohexene?
(6S)-3-ethyl-1,4,6-trimethylcyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-3-ethyl-1,4,6-trimethylcyclohexene is sourced from PubChem (CID 163545872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).