3-decylcyclobutene

C14H26 — CID 174421846

IUPAC3-decylcyclobutene
SMILESCCCCCCCCCCC1C=CC1
InChIInChI=1S/C14H26/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-14/h10,12,14H,2-9,11,13H2,1H3
InChIKeyGNIHSTYGZLADOS-UHFFFAOYSA-N
MW194.36 g/mol
LogP5.09
Rot. Bonds9

About 3-decylcyclobutene

3-decylcyclobutene (PubChem CID 174421846) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 3-decylcyclobutene.

Molecular Properties

Compound Name3-decylcyclobutene
PubChem CID174421846
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name3-decylcyclobutene
SMILESCCCCCCCCCCC1C=CC1
InChIInChI=1S/C14H26/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-14/h10,12,14H,2-9,11,13H2,1H3
InChIKeyGNIHSTYGZLADOS-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500194.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-decylcyclobutene 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

(3S)-3-nonylcyclopentene
CID 90814175
5-octylcyclohexa-1,3-diene;propane;2H-triazole
CID 175505536
4-hexylcyclopentene
CID 10487053
(3R)-3-hexylcyclohexene
CID 144775192
4-heptylcyclohexa-1,5-diene-1-carbonitrile
CID 90815913
5-hexyl-2-(4-octylcyclohexyl)cyclohexa-1,3-diene
CID 139627527
5,5-dimethyl-3-pentylcyclohexene
CID 123264098
1-bromo-4-(4-hexylcyclohexa-1,5-dien-1-yl)benzene
CID 19005410
3-hexyl-2,3-dihydropyran-6-one
CID 134890393
6-pentyl-2-propylcyclohexa-1,3-diene
CID 144896807
7-pentylbicyclo[3.2.1]oct-2-ene
CID 171097691
(3S,4S)-3-[(E)-dec-1-enyl]-4-heptylcyclopentene
CID 22811219

Frequently Asked Questions

What is the IUPAC name of 3-decylcyclobutene?
The IUPAC name of 3-decylcyclobutene (CID 174421846) is 3-decylcyclobutene.
What is the SMILES notation for 3-decylcyclobutene?
The canonical SMILES for 3-decylcyclobutene is CCCCCCCCCCC1C=CC1.
What is the InChIKey of 3-decylcyclobutene?
The InChIKey is GNIHSTYGZLADOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-2-3-4-5-6-7-8-9-11-14-12-10-13-14/h10,12,14H,2-9,11,13H2,1H3.
What are the key properties of 3-decylcyclobutene?
3-decylcyclobutene has a molecular weight of 194.36 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decylcyclobutene is sourced from PubChem (CID 174421846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).