9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane

C12H16O — CID 59097462

IUPAC9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
SMILESC=CC1CC2CC1C1CC3OC3C21
InChIInChI=1S/C12H16O/c1-2-6-3-7-4-8(6)9-5-10-12(13-10)11(7)9/h2,6-12H,1,3-5H2
InChIKeyOKJJNLDGGBHORU-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.23
Rot. Bonds1

About 9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane

9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane (PubChem CID 59097462) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane.

Molecular Properties

Compound Name9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
PubChem CID59097462
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
SMILESC=CC1CC2CC1C1CC3OC3C21
InChIInChI=1S/C12H16O/c1-2-6-3-7-4-8(6)9-5-10-12(13-10)11(7)9/h2,6-12H,1,3-5H2
InChIKeyOKJJNLDGGBHORU-UHFFFAOYSA-N
XLogP2.23
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane 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

(1S,4R,6S,9S,10R)-10-ethenyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane;(1S,4R,6S,9S,10S)-10-ethenyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane;(1S,4S,6R,9S,10R)-10-ethenyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane;(1S,4S,6R,9S,10S)-10-ethenyl-5-oxatetracyclo[7.2.1.02,8.04,6]dodecane
CID 159189434
(1S,2R,4S,5R,6S)-6-ethenyltricyclo[3.2.1.02,4]octane
CID 143370752
(1S,2S,3R,5R,7R,8R,10R)-10-prop-2-enoxy-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
CID 124924565
[dimethyl(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl)silyl]oxy-dimethyl-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl)silane
CID 102243381
4-oxatetracyclo[6.3.1.02,7.03,5]dodecan-10-ol
CID 142049798
(1R,2R,3R,5R,7R,8S,9R)-9-[2-[2-[[(1S,2R,3R,5R,7R,8R,9R)-4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl]oxy]ethoxy]ethoxy]-4-oxatetracyclo[6.2.1.02,7.03,5]undecane
CID 98114027
2,4-bis(ethenyl)bicyclo[3.1.0]hexane
CID 157434965
(1R,8R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
CID 53393744
(1S,2S,3S,5S,7R,8R,9S,11R)-4,10-dioxapentacyclo[6.3.1.02,7.03,5.09,11]dodecane
CID 99721647
ethane;2-(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-yl)ethyl formate
CID 144751326
(4-oxatetracyclo[6.2.1.02,7.03,5]undecan-9-ylamino) 2-aminoprop-2-enoate
CID 163928861
CID 20640902
CID 20640902

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane?
The IUPAC name of 9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane (CID 59097462) is 9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane.
What is the SMILES notation for 9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane?
The canonical SMILES for 9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane is C=CC1CC2CC1C1CC3OC3C21.
What is the InChIKey of 9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane?
The InChIKey is OKJJNLDGGBHORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-2-6-3-7-4-8(6)9-5-10-12(13-10)11(7)9/h2,6-12H,1,3-5H2.
What are the key properties of 9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane?
9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane has a molecular weight of 176.26 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-4-oxatetracyclo[6.2.1.02,7.03,5]undecane is sourced from PubChem (CID 59097462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).