5-ethyl-1,3-dimethylcycloheptene

C11H20 — CID 143264221

IUPAC5-ethyl-1,3-dimethylcycloheptene
SMILESCCC1CCC(C)=CC(C)C1
InChIInChI=1S/C11H20/c1-4-11-6-5-9(2)7-10(3)8-11/h7,10-11H,4-6,8H2,1-3H3
InChIKeyFBYAMJBDXSNJMY-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds1

About 5-ethyl-1,3-dimethylcycloheptene

5-ethyl-1,3-dimethylcycloheptene (PubChem CID 143264221) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 5-ethyl-1,3-dimethylcycloheptene.

Molecular Properties

Compound Name5-ethyl-1,3-dimethylcycloheptene
PubChem CID143264221
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name5-ethyl-1,3-dimethylcycloheptene
SMILESCCC1CCC(C)=CC(C)C1
InChIInChI=1S/C11H20/c1-4-11-6-5-9(2)7-10(3)8-11/h7,10-11H,4-6,8H2,1-3H3
InChIKeyFBYAMJBDXSNJMY-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

(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275915
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186
1,3-diethylcyclopentane
CID 530396
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 103277162
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine
CID 103276630
(3S)-1,3-dimethylcyclobutene
CID 58737300
(2S)-4-ethyl-1,2-dimethylcyclopentane
CID 149056409
2-cyclopropyl-1-(3,5-dimethylcyclohex-3-en-1-yl)ethanol
CID 103277720
(4Z)-4,6-dimethylcyclooct-4-en-1-one
CID 14063354
5-fluoro-1,3,4-trimethylcycloheptene
CID 146579921
1,3-dimethyl-4-(trifluoromethyl)cyclohexene
CID 162565648

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-dimethylcycloheptene?
The IUPAC name of 5-ethyl-1,3-dimethylcycloheptene (CID 143264221) is 5-ethyl-1,3-dimethylcycloheptene.
What is the SMILES notation for 5-ethyl-1,3-dimethylcycloheptene?
The canonical SMILES for 5-ethyl-1,3-dimethylcycloheptene is CCC1CCC(C)=CC(C)C1.
What is the InChIKey of 5-ethyl-1,3-dimethylcycloheptene?
The InChIKey is FBYAMJBDXSNJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-4-11-6-5-9(2)7-10(3)8-11/h7,10-11H,4-6,8H2,1-3H3.
What are the key properties of 5-ethyl-1,3-dimethylcycloheptene?
5-ethyl-1,3-dimethylcycloheptene 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 5-ethyl-1,3-dimethylcycloheptene is sourced from PubChem (CID 143264221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).