ethane;1-ethylcyclohepta-1,3,5-triene

C11H18 — CID 142143578

IUPACethane;1-ethylcyclohepta-1,3,5-triene
SMILESCC.CCC1=CC=CC=CC1
InChIInChI=1S/C9H12.C2H6/c1-2-9-7-5-3-4-6-8-9;1-2/h3-7H,2,8H2,1H3;1-2H3
InChIKeyYVSFYEPUNCVKPE-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.87
Rot. Bonds1

About ethane;1-ethylcyclohepta-1,3,5-triene

ethane;1-ethylcyclohepta-1,3,5-triene (PubChem CID 142143578) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is ethane;1-ethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;1-ethylcyclohepta-1,3,5-triene
PubChem CID142143578
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Nameethane;1-ethylcyclohepta-1,3,5-triene
SMILESCC.CCC1=CC=CC=CC1
InChIInChI=1S/C9H12.C2H6/c1-2-9-7-5-3-4-6-8-9;1-2/h3-7H,2,8H2,1H3;1-2H3
InChIKeyYVSFYEPUNCVKPE-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethylcyclohepta-1,3,5-triene;methane
CID 145260552
1-ethylcyclopenta-1,3-diene
CID 528166
bis(1-ethylcyclopenta-1,3-diene);ruthenium
CID 12730332
1-(chloromethyl)cyclohepta-1,3,5-triene
CID 12899029
1-ethylcyclopenta-1,3-diene;1H-pyrrole
CID 161342493
1-cyclohepta-1,3,5-trien-1-yl-N,N-dimethylmethanamine
CID 142160073
1-(2-cyclopenta-1,3-dien-1-ylethyl)cyclopenta-1,3-diene
CID 12744927
cyclohepta-1,3,5-trien-1-ylmethyl butanoate
CID 142997706
ethane;1-propoxycyclohepta-1,3,5-triene
CID 142183410
(1Z,3Z,6Z,8Z)-1-ethyl-8-methylcyclodeca-1,3,6,8-tetraene
CID 144855425
cyclohepta-1,3,5-trien-1-ol;ethane
CID 142842150
1-hept-6-enylcyclohepta-1,3,5-triene
CID 144531199

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethylcyclohepta-1,3,5-triene?
The IUPAC name of ethane;1-ethylcyclohepta-1,3,5-triene (CID 142143578) is ethane;1-ethylcyclohepta-1,3,5-triene.
What is the SMILES notation for ethane;1-ethylcyclohepta-1,3,5-triene?
The canonical SMILES for ethane;1-ethylcyclohepta-1,3,5-triene is CC.CCC1=CC=CC=CC1.
What is the InChIKey of ethane;1-ethylcyclohepta-1,3,5-triene?
The InChIKey is YVSFYEPUNCVKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C2H6/c1-2-9-7-5-3-4-6-8-9;1-2/h3-7H,2,8H2,1H3;1-2H3.
What are the key properties of ethane;1-ethylcyclohepta-1,3,5-triene?
ethane;1-ethylcyclohepta-1,3,5-triene has a molecular weight of 150.26 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 142143578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).