ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride

C20H37F — CID 143682937

IUPACethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride
SMILESC=CC1=CCC1.CC.CC.CCC12C=C(C)CCC1C2.F
InChIInChI=1S/C10H16.C6H8.2C2H6.FH/c1-3-10-6-8(2)4-5-9(10)7-10;1-2-6-4-3-5-6;2*1-2;/h6,9H,3-5,7H2,1-2H3;2,4H,1,3,5H2;2*1-2H3;1H
InChIKeyLNULBHKTWPQDFR-UHFFFAOYSA-N
MW296.51 g/mol
LogP7.24
Rot. Bonds2

About ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride

ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride (PubChem CID 143682937) has the molecular formula C20H37F and a molecular weight of 296.51 g/mol. Its IUPAC name is ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride.

Molecular Properties

Compound Nameethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride
PubChem CID143682937
Molecular FormulaC20H37F
Molecular Weight296.51 g/mol
Exact Mass296.29
IUPAC Nameethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride
SMILESC=CC1=CCC1.CC.CC.CCC12C=C(C)CCC1C2.F
InChIInChI=1S/C10H16.C6H8.2C2H6.FH/c1-3-10-6-8(2)4-5-9(10)7-10;1-2-6-4-3-5-6;2*1-2;/h6,9H,3-5,7H2,1-2H3;2,4H,1,3,5H2;2*1-2H3;1H
InChIKeyLNULBHKTWPQDFR-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.51
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride with MolForge

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Related Compounds

1-ethenylcyclobutene;3-ethenylcyclobutene
CID 23196725
ethane;1-methylcyclobutene
CID 91484029
1-ethenylcyclooctene
CID 54012738
(1R)-4-ethenylcyclohex-3-en-1-ol
CID 100956692
2,3-bis(ethenyl)-1-ethyl-7-methyl-4,5-dihydro-1H-indene
CID 144613775
1-ethenyl-5-methylcyclohexene
CID 13382650
1-ethenylcyclohexene;methylidenecyclopropane
CID 159160472
3-ethyl-1,3,5-trimethylcyclohexa-1,4-diene
CID 173366830
(1S,3E,7E,11R)-4,8,15,15-tetramethyl-12-methylidenebicyclo[9.3.1]pentadeca-3,7-diene
CID 15939522
1-ethenylcyclohexene;2-tetradecyloxirane
CID 158468491
(1R,4Z,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene
CID 5281522
ethane;3-ethenyl-1,2-dimethylcyclohexa-1,3-diene
CID 143703255

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride?
The IUPAC name of ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride (CID 143682937) is ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride.
What is the SMILES notation for ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride?
The canonical SMILES for ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride is C=CC1=CCC1.CC.CC.CCC12C=C(C)CCC1C2.F.
What is the InChIKey of ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride?
The InChIKey is LNULBHKTWPQDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.C6H8.2C2H6.FH/c1-3-10-6-8(2)4-5-9(10)7-10;1-2-6-4-3-5-6;2*1-2;/h6,9H,3-5,7H2,1-2H3;2,4H,1,3,5H2;2*1-2H3;1H.
What are the key properties of ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride?
ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride has a molecular weight of 296.51 g/mol, XLogP of 7.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenylcyclobutene;1-ethyl-3-methylbicyclo[4.1.0]hept-2-ene;hydrofluoride is sourced from PubChem (CID 143682937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).