5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene

C13H20 — CID 142148420

IUPAC5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene
SMILESC=CC1C=CC(CC)=CC1CCC
InChIInChI=1S/C13H20/c1-4-7-13-10-11(5-2)8-9-12(13)6-3/h6,8-10,12-13H,3-5,7H2,1-2H3
InChIKeyKYRPGIPUCUCIFX-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.11
Rot. Bonds4

About 5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene

5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene (PubChem CID 142148420) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene
PubChem CID142148420
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene
SMILESC=CC1C=CC(CC)=CC1CCC
InChIInChI=1S/C13H20/c1-4-7-13-10-11(5-2)8-9-12(13)6-3/h6,8-10,12-13H,3-5,7H2,1-2H3
InChIKeyKYRPGIPUCUCIFX-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-6-chloro-2-ethyl-5-undecylcyclohexa-1,3-diene
CID 130459982
2-ethyl-5-(2-methylpropyl)cyclopenta-1,3-diene
CID 159430648
bis(3-ethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 139667907
cyclopenta-2,4-dien-1-yl-(3-ethylcyclopenta-2,4-dien-1-yl)-dimethylsilane
CID 101180935
7-propyltricyclo[4.2.0.02,5]octa-1(8),2(5),3-triene
CID 90927055
2-ethyl-5-propylcyclohexa-1,3-diene;ethynol
CID 145190704
3-ethenyl-5-propylcyclopentene
CID 146962061
6-ethyl-3a,7a-dihydro-1H-benzimidazole
CID 89093625
(6R)-5,6-bis(ethenyl)-1-methylcyclohexa-1,3-diene
CID 144842164
2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
CID 143203794
5-methylidene-6-propylcyclohexa-1,3-diene
CID 163513277
6-chloro-2-ethylcyclohexa-1,3-diene
CID 70372426

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene?
The IUPAC name of 5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene (CID 142148420) is 5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene?
The canonical SMILES for 5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene is C=CC1C=CC(CC)=CC1CCC.
What is the InChIKey of 5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene?
The InChIKey is KYRPGIPUCUCIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-4-7-13-10-11(5-2)8-9-12(13)6-3/h6,8-10,12-13H,3-5,7H2,1-2H3.
What are the key properties of 5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene?
5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene has a molecular weight of 176.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-ethyl-6-propylcyclohexa-1,3-diene is sourced from PubChem (CID 142148420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).