3-ethyl-1,5-dimethylcyclohexene

C10H18 — CID 123667989

IUPAC3-ethyl-1,5-dimethylcyclohexene
SMILESCCC1C=C(C)CC(C)C1
InChIInChI=1S/C10H18/c1-4-10-6-8(2)5-9(3)7-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyGYEKXWASPXFWRT-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.39
Rot. Bonds1

About 3-ethyl-1,5-dimethylcyclohexene

3-ethyl-1,5-dimethylcyclohexene (PubChem CID 123667989) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 3-ethyl-1,5-dimethylcyclohexene.

Molecular Properties

Compound Name3-ethyl-1,5-dimethylcyclohexene
PubChem CID123667989
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name3-ethyl-1,5-dimethylcyclohexene
SMILESCCC1C=C(C)CC(C)C1
InChIInChI=1S/C10H18/c1-4-10-6-8(2)5-9(3)7-10/h6,9-10H,4-5,7H2,1-3H3
InChIKeyGYEKXWASPXFWRT-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.39
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

3-(2,2-dimethylpropyl)-1,5-dimethylcyclohexene
CID 123707543
(1R,5S)-3,5-dimethylcyclohex-2-en-1-ol
CID 129404741
1-methyl-3-propylcyclobutene
CID 14434507
(3R,4S)-3-ethyl-1,4-dimethylcyclopentene
CID 163464724
(3S)-1,3-dimethylcyclobutene
CID 58737300
1,3,5-triethylcyclopentene
CID 157204030
(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275915
1-(3,5-dimethylcyclohex-3-en-1-yl)pentan-1-ol
CID 103277568
1,2,4,6-tetramethyl-3,6-dihydro-2H-pyridine
CID 20692709
(3S)-3-ethyl-5-methyl-2,3-dihydrofuran
CID 163483277
2-ethyl-4-methylcyclopentan-1-one
CID 12501280
5-ethyl-1,3-dimethylcycloheptene
CID 143264221

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,5-dimethylcyclohexene?
The IUPAC name of 3-ethyl-1,5-dimethylcyclohexene (CID 123667989) is 3-ethyl-1,5-dimethylcyclohexene.
What is the SMILES notation for 3-ethyl-1,5-dimethylcyclohexene?
The canonical SMILES for 3-ethyl-1,5-dimethylcyclohexene is CCC1C=C(C)CC(C)C1.
What is the InChIKey of 3-ethyl-1,5-dimethylcyclohexene?
The InChIKey is GYEKXWASPXFWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-10-6-8(2)5-9(3)7-10/h6,9-10H,4-5,7H2,1-3H3.
What are the key properties of 3-ethyl-1,5-dimethylcyclohexene?
3-ethyl-1,5-dimethylcyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,5-dimethylcyclohexene is sourced from PubChem (CID 123667989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).