5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene

C14H24O5 — CID 91147298

IUPAC5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOCCOCCOCCOCC1CC2C=CC1O2
InChIInChI=1S/C14H24O5/c1-15-4-5-16-6-7-17-8-9-18-11-12-10-13-2-3-14(12)19-13/h2-3,12-14H,4-11H2,1H3
InChIKeyRXPSRUHPJVFIFJ-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.03
Rot. Bonds11

About 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene

5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 91147298) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID91147298
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOCCOCCOCCOCC1CC2C=CC1O2
InChIInChI=1S/C14H24O5/c1-15-4-5-16-6-7-17-8-9-18-11-12-10-13-2-3-14(12)19-13/h2-3,12-14H,4-11H2,1H3
InChIKeyRXPSRUHPJVFIFJ-UHFFFAOYSA-N
XLogP1.03
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[3-(Acetyloxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl acetate
CID 13637719
(1S,4R,5R,6S)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 11805420
5,6-Dimethoxymethyl-7-oxanorbornene
CID 12161673
5-Methoxymethyl-7-oxa-2-norbornene
CID 22600968
5,6-Dimethoxy methyl-7-oxanorbornene
CID 68965355
5-[Difluoro-[(2-methylpropan-2-yl)oxy]methyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 69022904
5,6-Bis(methoxymethyl)-1-methyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 85404952
(1R,4R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 135020119
(5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 135026317
[(1R,5R,6R)-5,6-diacetyloxycyclohex-3-en-1-yl]methyl acetate
CID 135049270
rel-(1R,4R,5S,6S)-4,6-diethoxybicyclo[3.1.0]hex-2-ene
CID 639396
[(1S,2S,3S,4R)-3-methyl-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 11263530

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene (CID 91147298) is 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene is COCCOCCOCCOCC1CC2C=CC1O2.
What is the InChIKey of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is RXPSRUHPJVFIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5/c1-15-4-5-16-6-7-17-8-9-18-11-12-10-13-2-3-14(12)19-13/h2-3,12-14H,4-11H2,1H3.
What are the key properties of 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene?
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 272.34 g/mol, XLogP of 1.03, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 91147298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).