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

C10H16 — CID 145260552

IUPAC1-ethylcyclohepta-1,3,5-triene;methane
SMILESC.CCC1=CC=CC=CC1
InChIInChI=1S/C9H12.CH4/c1-2-9-7-5-3-4-6-8-9;/h3-7H,2,8H2,1H3;1H4
InChIKeyNBEOAWMNKDZGRK-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.47
Rot. Bonds1

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

1-ethylcyclohepta-1,3,5-triene;methane (PubChem CID 145260552) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1-ethylcyclohepta-1,3,5-triene;methane.

Molecular Properties

Compound Name1-ethylcyclohepta-1,3,5-triene;methane
PubChem CID145260552
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1-ethylcyclohepta-1,3,5-triene;methane
SMILESC.CCC1=CC=CC=CC1
InChIInChI=1S/C9H12.CH4/c1-2-9-7-5-3-4-6-8-9;/h3-7H,2,8H2,1H3;1H4
InChIKeyNBEOAWMNKDZGRK-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethylcyclohepta-1,3,5-triene
CID 142143578
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
(1Z,3Z,6Z,8Z)-1-ethyl-8-methylcyclodeca-1,3,6,8-tetraene
CID 144855425
1-hept-6-enylcyclohepta-1,3,5-triene
CID 144531199
cyclopenta-1,3-dien-1-ylmethyl(trimethyl)silane;hafnium;dichloride
CID 174968217
N-(cyclohepta-1,3,5-trien-1-ylmethyl)-N,3-dimethylbutan-1-amine
CID 143312048

Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclohepta-1,3,5-triene;methane?
The IUPAC name of 1-ethylcyclohepta-1,3,5-triene;methane (CID 145260552) is 1-ethylcyclohepta-1,3,5-triene;methane.
What is the SMILES notation for 1-ethylcyclohepta-1,3,5-triene;methane?
The canonical SMILES for 1-ethylcyclohepta-1,3,5-triene;methane is C.CCC1=CC=CC=CC1.
What is the InChIKey of 1-ethylcyclohepta-1,3,5-triene;methane?
The InChIKey is NBEOAWMNKDZGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.CH4/c1-2-9-7-5-3-4-6-8-9;/h3-7H,2,8H2,1H3;1H4.
What are the key properties of 1-ethylcyclohepta-1,3,5-triene;methane?
1-ethylcyclohepta-1,3,5-triene;methane has a molecular weight of 136.24 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclohepta-1,3,5-triene;methane is sourced from PubChem (CID 145260552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).