6-ethyl-1,5,5-trimethylcyclohexene

C11H20 — CID 143426424

IUPAC6-ethyl-1,5,5-trimethylcyclohexene
SMILESCCC1C(C)=CCCC1(C)C
InChIInChI=1S/C11H20/c1-5-10-9(2)7-6-8-11(10,3)4/h7,10H,5-6,8H2,1-4H3
InChIKeyLLDOZAJUCMEZMK-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds1

About 6-ethyl-1,5,5-trimethylcyclohexene

6-ethyl-1,5,5-trimethylcyclohexene (PubChem CID 143426424) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 6-ethyl-1,5,5-trimethylcyclohexene.

Molecular Properties

Compound Name6-ethyl-1,5,5-trimethylcyclohexene
PubChem CID143426424
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name6-ethyl-1,5,5-trimethylcyclohexene
SMILESCCC1C(C)=CCCC1(C)C
InChIInChI=1S/C11H20/c1-5-10-9(2)7-6-8-11(10,3)4/h7,10H,5-6,8H2,1-4H3
InChIKeyLLDOZAJUCMEZMK-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
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

[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methanethiol
CID 3085622
6-butyl-1,5,5-trimethylcyclohexene
CID 15402298
3-(2,6,6-trimethylcyclohex-2-en-1-yl)propan-1-ol
CID 10655039
4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-2-enal
CID 57060435
6-[(E)-but-1-enyl]-1,5,5-trimethylcyclohexene
CID 13329038
(6S)-1,5,5,6-tetramethylcyclohexene
CID 11768696
2,3-dimethyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-enenitrile
CID 71323427
ethane;(E)-3-methyl-5-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-2-en-1-ol
CID 176716265
(E)-1-[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]pent-2-en-1-one
CID 134872489
(E)-4-ethyl-6-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-2-ene-1,4-diol
CID 6366429
(2E,6E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-2-en-1-yl)nona-2,6-dien-1-ol
CID 23424854
1-[(1S)-2,6,6-trimethylcyclohex-2-en-1-yl]ethylideneoxidanium
CID 76764090

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1,5,5-trimethylcyclohexene?
The IUPAC name of 6-ethyl-1,5,5-trimethylcyclohexene (CID 143426424) is 6-ethyl-1,5,5-trimethylcyclohexene.
What is the SMILES notation for 6-ethyl-1,5,5-trimethylcyclohexene?
The canonical SMILES for 6-ethyl-1,5,5-trimethylcyclohexene is CCC1C(C)=CCCC1(C)C.
What is the InChIKey of 6-ethyl-1,5,5-trimethylcyclohexene?
The InChIKey is LLDOZAJUCMEZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-10-9(2)7-6-8-11(10,3)4/h7,10H,5-6,8H2,1-4H3.
What are the key properties of 6-ethyl-1,5,5-trimethylcyclohexene?
6-ethyl-1,5,5-trimethylcyclohexene has a molecular weight of 152.28 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1,5,5-trimethylcyclohexene is sourced from PubChem (CID 143426424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).