5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene

C16H22O — CID 12574061

IUPAC5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2COCC1CC2C=CC1C2
InChIInChI=1S/C16H22O/c1-3-13-5-11(1)7-15(13)9-17-10-16-8-12-2-4-14(16)6-12/h1-4,11-16H,5-10H2
InChIKeyMUIADVKDDBLDLO-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.43
Rot. Bonds4

About 5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene

5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 12574061) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene
PubChem CID12574061
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2COCC1CC2C=CC1C2
InChIInChI=1S/C16H22O/c1-3-13-5-11(1)7-15(13)9-17-10-16-8-12-2-4-14(16)6-12/h1-4,11-16H,5-10H2
InChIKeyMUIADVKDDBLDLO-UHFFFAOYSA-N
XLogP3.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene 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

5-(Methoxymethyl)norbornene
CID 18400387
5-(Octaoxymethyl)-2-norbornene
CID 86185185
5,6-Bis(pentoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 101391568
Bis(bicyclo(2.2.1)hept-5-en-2-ylmethyl) methyl phosphite
CID 116687
1,3,3a,4,7,7a-Hexahydro-4,7-methanoisobenzofuran
CID 548729
(1S,2R,6S,7R)-4-oxatricyclo[5.2.1.02,6]dec-8-ene
CID 12485265
2,4-Bis(2-bicyclo[2.2.1]hept-5-enyl)-1,3-dioxetane
CID 14321347
5,6-Bis(ethoxymethyl)-bicyclo[2.2.1]hept-2-ene
CID 72301992
5-(Decoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 90727032
Magnesium;5-(pentoxymethyl)bicyclo[2.2.1]hept-2-ene;bromide
CID 134897394
(1S,4S,5S)-5-[[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 21587344
(1S,4S,5R)-5-[[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 21587346

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene (CID 12574061) is 5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2COCC1CC2C=CC1C2.
What is the InChIKey of 5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is MUIADVKDDBLDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-13-5-11(1)7-15(13)9-17-10-16-8-12-2-4-14(16)6-12/h1-4,11-16H,5-10H2.
What are the key properties of 5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene?
5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 230.35 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 12574061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).