6-ethylcyclohepta-1,3-diene

C9H14 — CID 123536313

IUPAC6-ethylcyclohepta-1,3-diene
SMILESCCC1CC=CC=CC1
InChIInChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h3-6,9H,2,7-8H2,1H3
InChIKeyDZAKCEVJKCZJLE-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds1

About 6-ethylcyclohepta-1,3-diene

6-ethylcyclohepta-1,3-diene (PubChem CID 123536313) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 6-ethylcyclohepta-1,3-diene.

Molecular Properties

Compound Name6-ethylcyclohepta-1,3-diene
PubChem CID123536313
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name6-ethylcyclohepta-1,3-diene
SMILESCCC1CC=CC=CC1
InChIInChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h3-6,9H,2,7-8H2,1H3
InChIKeyDZAKCEVJKCZJLE-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5,6-diethylcyclohepta-1,3-diene
CID 90988360
(1E)-4-ethylcyclononene
CID 173294851
3-ethyl-1-hydroxy-3,4-dihydro-2H-pyridine
CID 70224791
5-propylcyclohexa-1,3-diene
CID 13212987
(3R,5R)-5-ethyl-3-methoxycyclohexene
CID 170644305
6-(2-methylpropyl)cyclonona-1,3-diene
CID 91468829
3-cyclohepta-3,5-dien-1-ylpropanoic acid
CID 70614890
1-chloro-3-ethylcyclobutane
CID 57207865
3-ethyl-1,1-dimethylazetidin-1-ium
CID 130263001
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
cycloocta-1,5-diene;ethylcyclopentane;iridium
CID 161218097

Frequently Asked Questions

What is the IUPAC name of 6-ethylcyclohepta-1,3-diene?
The IUPAC name of 6-ethylcyclohepta-1,3-diene (CID 123536313) is 6-ethylcyclohepta-1,3-diene.
What is the SMILES notation for 6-ethylcyclohepta-1,3-diene?
The canonical SMILES for 6-ethylcyclohepta-1,3-diene is CCC1CC=CC=CC1.
What is the InChIKey of 6-ethylcyclohepta-1,3-diene?
The InChIKey is DZAKCEVJKCZJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 6-ethylcyclohepta-1,3-diene?
6-ethylcyclohepta-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylcyclohepta-1,3-diene is sourced from PubChem (CID 123536313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).