1,2,4,5-tetraethylcyclohepta-1,3,5-triene

C15H24 — CID 153389837

IUPAC1,2,4,5-tetraethylcyclohepta-1,3,5-triene
SMILESCCC1=CCC(CC)=C(CC)C=C1CC
InChIInChI=1S/C15H24/c1-5-12-9-10-13(6-2)15(8-4)11-14(12)7-3/h9,11H,5-8,10H2,1-4H3
InChIKeyBILJYMFXHINVCZ-UHFFFAOYSA-N
MW204.36 g/mol
LogP5.18
Rot. Bonds4

About 1,2,4,5-tetraethylcyclohepta-1,3,5-triene

1,2,4,5-tetraethylcyclohepta-1,3,5-triene (PubChem CID 153389837) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1,2,4,5-tetraethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1,2,4,5-tetraethylcyclohepta-1,3,5-triene
PubChem CID153389837
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1,2,4,5-tetraethylcyclohepta-1,3,5-triene
SMILESCCC1=CCC(CC)=C(CC)C=C1CC
InChIInChI=1S/C15H24/c1-5-12-9-10-13(6-2)15(8-4)11-14(12)7-3/h9,11H,5-8,10H2,1-4H3
InChIKeyBILJYMFXHINVCZ-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.36
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-ethyl-1-[2-(3-ethyl-2-methylcyclopenta-1,3-dien-1-yl)ethyl]-2-methylcyclopenta-1,3-diene
CID 22347909
2,3-diethyl-5-methylcyclohepta-1,3,5-triene
CID 142887028
3,4-diethylcyclohexa-1,3-dien-1-amine
CID 143938092
2-ethyl-1-methoxy-4-(methoxymethyl)-5-methylcyclohepta-1,3,5-triene
CID 170343580
3-bromo-1,2-diethylcyclopenta-1,3-diene
CID 173084452
dichlorotitanium;2,3-diethylcyclopenta-1,3-diene
CID 174352745
3,4-diethyl-2,5-dihydrotellurophene
CID 19855763
2-ethyl-1-[(2-ethylcyclopenta-1,3-dien-1-yl)methyl]cyclopenta-1,3-diene
CID 19381548
4-ethyl-2H-naphthalen-1-one
CID 89331338
CID 173475898
CID 173475898
1,2-diethylcyclopenta-1,3-diene;titanium;dihydrochloride
CID 87751868
2,6,7-trichloro-3-ethyl-4H-azepine
CID 174251577

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetraethylcyclohepta-1,3,5-triene?
The IUPAC name of 1,2,4,5-tetraethylcyclohepta-1,3,5-triene (CID 153389837) is 1,2,4,5-tetraethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1,2,4,5-tetraethylcyclohepta-1,3,5-triene?
The canonical SMILES for 1,2,4,5-tetraethylcyclohepta-1,3,5-triene is CCC1=CCC(CC)=C(CC)C=C1CC.
What is the InChIKey of 1,2,4,5-tetraethylcyclohepta-1,3,5-triene?
The InChIKey is BILJYMFXHINVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-5-12-9-10-13(6-2)15(8-4)11-14(12)7-3/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 1,2,4,5-tetraethylcyclohepta-1,3,5-triene?
1,2,4,5-tetraethylcyclohepta-1,3,5-triene has a molecular weight of 204.36 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetraethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 153389837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).