(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane

C15H28 — CID 145019486

IUPAC(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane
SMILESCC.CCC1(CC)C/C=C\C/C=C\C1C
InChIInChI=1S/C13H22.C2H6/c1-4-13(5-2)11-9-7-6-8-10-12(13)3;1-2/h7-10,12H,4-6,11H2,1-3H3;1-2H3/b9-7-,10-8-;
InChIKeyMVHMJCKQWPTLSO-RMMOYNDYSA-N
MW208.39 g/mol
LogP5.36
Rot. Bonds2

About (1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane

(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane (PubChem CID 145019486) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane.

Molecular Properties

Compound Name(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane
PubChem CID145019486
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane
SMILESCC.CCC1(CC)C/C=C\C/C=C\C1C
InChIInChI=1S/C13H22.C2H6/c1-4-13(5-2)11-9-7-6-8-10-12(13)3;1-2/h7-10,12H,4-6,11H2,1-3H3;1-2H3/b9-7-,10-8-;
InChIKeyMVHMJCKQWPTLSO-RMMOYNDYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.36
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

(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene
CID 145019487
cyclohexa-1,4-diene;ethane;propane
CID 158923317
4a,8a-diethyl-1,4,5,8-tetrahydronaphthalene
CID 12536948
(1E,4E)-7-ethyl-7-methylcyclonona-1,4-diene
CID 143371902
(3S)-3,4,4-trimethylcyclopentene
CID 145186041
6-propylcyclohepta-1,4-diene
CID 142104440
cis-(2R,3S)-1,1,4,4-tetraethyl-2,3-dimethylcyclohexane
CID 170936839
3-pentan-3-ylcyclohexa-1,4-diene
CID 123958153
(1R,6S)-1-ethyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 125480691
3-(1-bromobutyl)cyclohexa-1,4-diene
CID 69013117
(1Z,4Z,8Z)-6-methylcycloundeca-1,4,8-triene
CID 5352577
6,6-dipropylcyclohex-3-en-1-ol
CID 101312190

Frequently Asked Questions

What is the IUPAC name of (1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane?
The IUPAC name of (1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane (CID 145019486) is (1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane.
What is the SMILES notation for (1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane?
The canonical SMILES for (1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane is CC.CCC1(CC)C/C=C\C/C=C\C1C.
What is the InChIKey of (1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane?
The InChIKey is MVHMJCKQWPTLSO-RMMOYNDYSA-N. The full InChI is InChI=1S/C13H22.C2H6/c1-4-13(5-2)11-9-7-6-8-10-12(13)3;1-2/h7-10,12H,4-6,11H2,1-3H3;1-2H3/b9-7-,10-8-;.
What are the key properties of (1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane?
(1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane has a molecular weight of 208.39 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E)-7,7-diethyl-6-methylcycloocta-1,4-diene;ethane is sourced from PubChem (CID 145019486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).