5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene

C13H22O3 — CID 58241645

IUPAC5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
SMILESCOCCOCCOCC1CC2C=CC1C2
InChIInChI=1S/C13H22O3/c1-14-4-5-15-6-7-16-10-13-9-11-2-3-12(13)8-11/h2-3,11-13H,4-10H2,1H3
InChIKeyVCOXSVQMANZZDY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.88
Rot. Bonds8

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

5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 58241645) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
PubChem CID58241645
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
SMILESCOCCOCCOCC1CC2C=CC1C2
InChIInChI=1S/C13H22O3/c1-14-4-5-15-6-7-16-10-13-9-11-2-3-12(13)8-11/h2-3,11-13H,4-10H2,1H3
InChIKeyVCOXSVQMANZZDY-UHFFFAOYSA-N
XLogP1.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methoxyethoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 59169045
5-(3-methoxypropoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 70640373
2-[2-[2-[[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]ethoxy]ethoxy]ethanamine
CID 118226303
2-[2-[2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 172611502
2-bicyclo[2.2.1]hept-5-enylmethyl 3-methoxypropanoate
CID 151716584
5-[2-(2-azidoethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 90326541
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115685556
4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)butanoic acid
CID 154068975
5-[4-(2-bicyclo[2.2.1]hept-5-enylmethoxy)but-2-enoxymethyl]bicyclo[2.2.1]hept-2-ene
CID 154203561
5-(8-methoxyoctyl)bicyclo[2.2.1]hept-2-ene
CID 59748193
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 171770545
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 171770501

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene (CID 58241645) is 5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene is COCCOCCOCC1CC2C=CC1C2.
What is the InChIKey of 5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
The InChIKey is VCOXSVQMANZZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-14-4-5-15-6-7-16-10-13-9-11-2-3-12(13)8-11/h2-3,11-13H,4-10H2,1H3.
What are the key properties of 5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene?
5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 226.32 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyethoxy)ethoxymethyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 58241645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).