2,6-diethylbicyclo[3.2.0]hept-1(5)-ene

C11H18 — CID 159302327

IUPAC2,6-diethylbicyclo[3.2.0]hept-1(5)-ene
SMILESCCC1CCC2=C1CC2CC
InChIInChI=1S/C11H18/c1-3-8-5-6-10-9(4-2)7-11(8)10/h8-9H,3-7H2,1-2H3
InChIKeyLBMKBMBGMGPNIM-UHFFFAOYSA-N
MW150.27 g/mol
LogP3.53
Rot. Bonds2

About 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene

2,6-diethylbicyclo[3.2.0]hept-1(5)-ene (PubChem CID 159302327) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name2,6-diethylbicyclo[3.2.0]hept-1(5)-ene
PubChem CID159302327
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name2,6-diethylbicyclo[3.2.0]hept-1(5)-ene
SMILESCCC1CCC2=C1CC2CC
InChIInChI=1S/C11H18/c1-3-8-5-6-10-9(4-2)7-11(8)10/h8-9H,3-7H2,1-2H3
InChIKeyLBMKBMBGMGPNIM-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.27
LogP ≤ 53.53
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 534566
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CID 130030063
ethane;(2E)-1-ethyl-2-ethylidenecyclopentane
CID 91157114
4-ethyl-2-methylcyclohexane-1,3-dione
CID 130029472
2-ethylbicyclo[2.1.1]hex-1(5)-ene
CID 147706365
1-ethyl-2,3-dihydro-1H-indene
CID 20971
4-ethyl-2,2-dimethylcyclohexane-1,3-dione
CID 67984878
5-ethyl-6,7-dihydro-5H-cyclopenta[b]pyrazine
CID 76852387
(2Z)-10-ethyltricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
CID 162529967
1,3-diethyl-2-methylidenecyclohexane
CID 58088314
trans-(2R,5S)-2-ethyl-5-methylcyclohexan-1-one
CID 99647050
7-ethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 59145627

Frequently Asked Questions

What is the IUPAC name of 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene (CID 159302327) is 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene is CCC1CCC2=C1CC2CC.
What is the InChIKey of 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is LBMKBMBGMGPNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-3-8-5-6-10-9(4-2)7-11(8)10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene?
2,6-diethylbicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 150.27 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethylbicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 159302327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).