7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene

C11H18 — CID 123759085

IUPAC7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene
SMILESCCC1CC2CC1=CC(C)C2
InChIInChI=1S/C11H18/c1-3-10-6-9-4-8(2)5-11(10)7-9/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyXLCXLONSMGALDQ-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds1

About 7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene

7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene (PubChem CID 123759085) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene.

Molecular Properties

Compound Name7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene
PubChem CID123759085
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene
SMILESCCC1CC2CC1=CC(C)C2
InChIInChI=1S/C11H18/c1-3-10-6-9-4-8(2)5-11(10)7-9/h5,8-10H,3-4,6-7H2,1-2H3
InChIKeyXLCXLONSMGALDQ-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
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

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CID 147706365
3,7-dimethylbicyclo[3.3.1]non-1-ene
CID 123750976
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CID 103275915
2-ethyl-4-methylcyclopentan-1-one
CID 12501280
5-ethyl-1,3-dimethylcycloheptene
CID 143264221
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
CID 103275920
1,3,5-triethylcyclopentene
CID 157204030
3-ethyl-1,5-dimethylcyclohexene
CID 123667989
5,6-diethyl-2-methyl-4,5,6,7-tetrahydro-3aH-indene
CID 91208740
1-cyclobutyl-3-ethyl-4-methylcyclopentene
CID 163881123
2,4-dimethyl-6-sulfanylcyclohept-2-en-1-one
CID 170072121
3-ethyl-2,6-dimethylbicyclo[3.2.0]hept-1-ene
CID 123515175

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene?
The IUPAC name of 7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene (CID 123759085) is 7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene.
What is the SMILES notation for 7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene?
The canonical SMILES for 7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene is CCC1CC2CC1=CC(C)C2.
What is the InChIKey of 7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene?
The InChIKey is XLCXLONSMGALDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-10-6-9-4-8(2)5-11(10)7-9/h5,8-10H,3-4,6-7H2,1-2H3.
What are the key properties of 7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene?
7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene has a molecular weight of 150.26 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 7-ethyl-3-methylbicyclo[3.2.1]oct-1-ene is sourced from PubChem (CID 123759085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).