1-ethylidene-2-prop-2-enylidenecyclooctane

C13H20 — CID 91407681

IUPAC1-ethylidene-2-prop-2-enylidenecyclooctane
SMILESC=CC=C1CCCCCCC1=CC
InChIInChI=1S/C13H20/c1-3-9-13-11-8-6-5-7-10-12(13)4-2/h3-4,9H,1,5-8,10-11H2,2H3
InChIKeyKORKIPUUHNSEFJ-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.40
Rot. Bonds1

About 1-ethylidene-2-prop-2-enylidenecyclooctane

1-ethylidene-2-prop-2-enylidenecyclooctane (PubChem CID 91407681) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1-ethylidene-2-prop-2-enylidenecyclooctane.

Molecular Properties

Compound Name1-ethylidene-2-prop-2-enylidenecyclooctane
PubChem CID91407681
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1-ethylidene-2-prop-2-enylidenecyclooctane
SMILESC=CC=C1CCCCCCC1=CC
InChIInChI=1S/C13H20/c1-3-9-13-11-8-6-5-7-10-12(13)4-2/h3-4,9H,1,5-8,10-11H2,2H3
InChIKeyKORKIPUUHNSEFJ-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-ethylidene-2-prop-2-enylidenecyclooctane 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

ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecycloheptane
CID 143924638
1,2-di(ethylidene)cyclooctane
CID 134898176
(1E,2Z)-1,2-di(ethylidene)cyclohexane
CID 102070913
ethane;(1Z,2Z)-1-ethylidene-2-prop-2-enylidenecyclohexane;formamide;2-methylbutane
CID 144973587
(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane
CID 143536598
(1Z,2Z)-1-prop-2-enylidene-2-propylidenecyclohexane
CID 143194645
(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecyclohexane;ethane
CID 142131776
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepiperidine
CID 135293785
ethane;(3E,4Z)-3-ethylidene-4-prop-2-enylidenepiperidine
CID 143519935
4-ethylidene-3-prop-2-enylideneoxane
CID 91078972
(3E,4Z)-3-ethylidene-1-methyl-4-prop-2-enylidenepiperidine
CID 89468901
3-ethylidene-4-prop-2-enylideneoxolane
CID 90927536

Frequently Asked Questions

What is the IUPAC name of 1-ethylidene-2-prop-2-enylidenecyclooctane?
The IUPAC name of 1-ethylidene-2-prop-2-enylidenecyclooctane (CID 91407681) is 1-ethylidene-2-prop-2-enylidenecyclooctane.
What is the SMILES notation for 1-ethylidene-2-prop-2-enylidenecyclooctane?
The canonical SMILES for 1-ethylidene-2-prop-2-enylidenecyclooctane is C=CC=C1CCCCCCC1=CC.
What is the InChIKey of 1-ethylidene-2-prop-2-enylidenecyclooctane?
The InChIKey is KORKIPUUHNSEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-3-9-13-11-8-6-5-7-10-12(13)4-2/h3-4,9H,1,5-8,10-11H2,2H3.
What are the key properties of 1-ethylidene-2-prop-2-enylidenecyclooctane?
1-ethylidene-2-prop-2-enylidenecyclooctane has a molecular weight of 176.30 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylidene-2-prop-2-enylidenecyclooctane is sourced from PubChem (CID 91407681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).