(5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene

C10H16O3 — CID 135026317

IUPAC(5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOC[C@@H]1C2C=CC(O2)[C@@H]1COC
InChIInChI=1S/C10H16O3/c1-11-5-7-8(6-12-2)10-4-3-9(7)13-10/h3-4,7-10H,5-6H2,1-2H3/t7-,8+,9?,10?
InChIKeyRYOKNWWJAGXJSG-BQKDNTBBSA-N
MW184.23 g/mol
LogP0.85
Rot. Bonds4

About (5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene

(5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene (PubChem CID 135026317) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
PubChem CID135026317
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
SMILESCOC[C@@H]1C2C=CC(O2)[C@@H]1COC
InChIInChI=1S/C10H16O3/c1-11-5-7-8(6-12-2)10-4-3-9(7)13-10/h3-4,7-10H,5-6H2,1-2H3/t7-,8+,9?,10?
InChIKeyRYOKNWWJAGXJSG-BQKDNTBBSA-N
XLogP0.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6,9,10-Tetramethyl-1-oxaspiro(4.5)deca-3,6-diene
CID 116740
(3R,4S)-3-propoxy-4-(2-propoxyethyl)cyclopentene
CID 24744770
(3R,4S)-3-ethoxy-4-(2-ethoxyethyl)cyclopentene
CID 24745088
(3R,4S)-3-butoxy-4-(2-butoxyethyl)cyclopentene
CID 24745089
[3-(Hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 494715
[3-(Acetyloxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methyl acetate
CID 13637719
[(1S,2S,3R,4R)-3-(hydroxymethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-yl]methanol
CID 10241040
(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-(Trifluoromethoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene
CID 59046585
5-[(1-Ethylcyclopentyl)oxy-difluoromethyl]-7-oxabicyclo[2.2.1]hept-2-ene
CID 69022795

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The IUPAC name of (5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene (CID 135026317) is (5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene is COC[C@@H]1C2C=CC(O2)[C@@H]1COC.
What is the InChIKey of (5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
The InChIKey is RYOKNWWJAGXJSG-BQKDNTBBSA-N. The full InChI is InChI=1S/C10H16O3/c1-11-5-7-8(6-12-2)10-4-3-9(7)13-10/h3-4,7-10H,5-6H2,1-2H3/t7-,8+,9?,10?.
What are the key properties of (5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene?
(5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene has a molecular weight of 184.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 135026317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).