propa-1,2-dienylcyclooctane

C11H18 — CID 86021125

IUPACpropa-1,2-dienylcyclooctane
SMILESC=C=CC1CCCCCCC1
InChIInChI=1S/C11H18/c1-2-8-11-9-6-4-3-5-7-10-11/h8,11H,1,3-7,9-10H2
InChIKeyBHBLBSLDZUAUHI-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.69
Rot. Bonds1

About propa-1,2-dienylcyclooctane

propa-1,2-dienylcyclooctane (PubChem CID 86021125) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is propa-1,2-dienylcyclooctane.

Molecular Properties

Compound Namepropa-1,2-dienylcyclooctane
PubChem CID86021125
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Namepropa-1,2-dienylcyclooctane
SMILESC=C=CC1CCCCCCC1
InChIInChI=1S/C11H18/c1-2-8-11-9-6-4-3-5-7-10-11/h8,11H,1,3-7,9-10H2
InChIKeyBHBLBSLDZUAUHI-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze propa-1,2-dienylcyclooctane 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

1-(4-cyclopentylcyclohexyl)-4-(4-propa-1,2-dienylcyclohexyl)cyclohexane
CID 163516352
3-propa-1,2-dienyl-oxacyclohexadecane
CID 175329781
2-cyclohexylethenylcyclohexane
CID 4124459
1,1-difluoro-4-propa-1,2-dienylcyclohexane
CID 174809330
ethenylcyclotetradecane
CID 123915888
ethenylcyclononane
CID 123465789
4-cyclohexylbuta-1,2-dienylcyclohexane
CID 58339602
cyclodecanecarbaldehyde
CID 13240747
cyclohexylcyclohexane;propa-1,2-diene
CID 175423188
1-methyl-2-propa-1,2-dienylpiperidine
CID 134716119
cyclopentadecane-1,5-dicarbaldehyde
CID 135390185
cyclooctane-1,4-dicarbaldehyde
CID 19884381

Frequently Asked Questions

What is the IUPAC name of propa-1,2-dienylcyclooctane?
The IUPAC name of propa-1,2-dienylcyclooctane (CID 86021125) is propa-1,2-dienylcyclooctane.
What is the SMILES notation for propa-1,2-dienylcyclooctane?
The canonical SMILES for propa-1,2-dienylcyclooctane is C=C=CC1CCCCCCC1.
What is the InChIKey of propa-1,2-dienylcyclooctane?
The InChIKey is BHBLBSLDZUAUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-2-8-11-9-6-4-3-5-7-10-11/h8,11H,1,3-7,9-10H2.
What are the key properties of propa-1,2-dienylcyclooctane?
propa-1,2-dienylcyclooctane has a molecular weight of 150.26 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for propa-1,2-dienylcyclooctane is sourced from PubChem (CID 86021125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).