3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene

C14H24 — CID 163991367

IUPAC3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene
SMILESCCCCCC1=CC(CC)=CC(C)C1
InChIInChI=1S/C14H24/c1-4-6-7-8-14-10-12(3)9-13(5-2)11-14/h9,11-12H,4-8,10H2,1-3H3
InChIKeyUAWXYCFMISJHNL-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.87
Rot. Bonds5

About 3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene

3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene (PubChem CID 163991367) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene
PubChem CID163991367
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene
SMILESCCCCCC1=CC(CC)=CC(C)C1
InChIInChI=1S/C14H24/c1-4-6-7-8-14-10-12(3)9-13(5-2)11-14/h9,11-12H,4-8,10H2,1-3H3
InChIKeyUAWXYCFMISJHNL-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-ethyl-5-methyl-1-propylcyclohexa-1,3-diene
CID 142361347
3-ethyl-5-methyl-1-nitrocyclohexa-1,3-diene
CID 129312910
1-pentylcyclopropene
CID 159067584
1-tridecylcyclopropene
CID 22621692
1-dodecylcyclopropene
CID 22621656
5-(2-hydroxyethyl)-3-pentylcyclopent-2-en-1-one
CID 11521253
3-pentylcyclopent-2-en-1-amine
CID 65174875
(1E,3Z,5Z)-2-hexyl-4,7-dimethylcycloocta-1,3,5-triene
CID 143192924
N-(3-hexylcyclobut-2-en-1-yl)sulfanylheptan-1-amine
CID 91470128
3-decylcyclopent-2-en-1-amine
CID 65174759
3-dodecylcyclopent-2-en-1-amine
CID 65174520
1-hexylcyclobutene
CID 86205685

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene?
The IUPAC name of 3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene (CID 163991367) is 3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene.
What is the SMILES notation for 3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene?
The canonical SMILES for 3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene is CCCCCC1=CC(CC)=CC(C)C1.
What is the InChIKey of 3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene?
The InChIKey is UAWXYCFMISJHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24/c1-4-6-7-8-14-10-12(3)9-13(5-2)11-14/h9,11-12H,4-8,10H2,1-3H3.
What are the key properties of 3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene?
3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene has a molecular weight of 192.35 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1-pentylcyclohexa-1,3-diene is sourced from PubChem (CID 163991367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).