2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane

C18H26O4 — CID 100948213

IUPAC2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane
SMILESCOCO[C@H]1C=C[C@@H](OC2CCCCO2)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C18H26O4/c1-19-11-21-14-7-8-15(22-16-4-2-3-9-20-16)18-13-6-5-12(10-13)17(14)18/h5-8,12-18H,2-4,9-11H2,1H3/t12-,13+,14+,15-,16?,17+,18-/m1/s1
InChIKeyHKNMKCJXTAQMQX-OLGRXRPASA-N
MW306.40 g/mol
LogP2.90
Rot. Bonds5

About 2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane

2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane (PubChem CID 100948213) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane.

Molecular Properties

Compound Name2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane
PubChem CID100948213
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane
SMILESCOCO[C@H]1C=C[C@@H](OC2CCCCO2)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1
InChIInChI=1S/C18H26O4/c1-19-11-21-14-7-8-15(22-16-4-2-3-9-20-16)18-13-6-5-12(10-13)17(14)18/h5-8,12-18H,2-4,9-11H2,1H3/t12-,13+,14+,15-,16?,17+,18-/m1/s1
InChIKeyHKNMKCJXTAQMQX-OLGRXRPASA-N
XLogP2.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane with MolForge

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Launch Full Analysis

Related Compounds

[(1S,2R,3S,6R,7S,8R)-6-methoxycarbonyloxy-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] methyl carbonate
CID 101617913
2-[(E)-1-[(1S,2S)-2-ethylcyclopentyl]oct-1-en-3-yl]oxyoxane
CID 134849756
2-[[3-(Oxan-2-yloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methoxy]oxane
CID 22336653
2-[[(2R,3S,3aR,6aS)-3-[(3S)-3-(oxan-2-yloxy)oct-1-enyl]-5-pent-4-enyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy]oxane
CID 53834121
2-[[(2R,3S,3aS,6aS)-3-[(Z,3S)-3-(oxan-2-yloxy)oct-1-enyl]-5-pent-4-enyl-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy]oxane
CID 70408798
2-[[(2R,3R,3aS,6aS)-3-[(E,3S)-3-(oxan-2-yloxy)oct-1-enyl]-5-(oxiran-2-yl)-1,2,3,3a,4,6a-hexahydropentalen-2-yl]oxy]oxane
CID 10049920
(1R,3S,5R,8S,9S,10S,11S,13R)-2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradec-6-ene
CID 10583899
2-[4-[(1S,4R)-3-(methoxymethyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]butoxy]oxane
CID 10708804
(1R,3S,5S,8R,9S,10S,11S,13R)-6-methyl-2,4,14-trioxapentacyclo[6.5.1.03,11.05,10.09,13]tetradec-6-ene
CID 10750780
[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl] acetate
CID 11065318
2-{[1-(2-Ethylcyclopentyl)oct-1-EN-3-YL]oxy}oxane
CID 71401118
tert-butyl-dimethyl-[[(1S,2R,3S,6R,7S,8R)-6-(oxan-2-yloxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]silane
CID 100948215

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane?
The IUPAC name of 2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane (CID 100948213) is 2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane.
What is the SMILES notation for 2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane?
The canonical SMILES for 2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane is COCO[C@H]1C=C[C@@H](OC2CCCCO2)[C@@H]2[C@H]1[C@@H]1C=C[C@H]2C1.
What is the InChIKey of 2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane?
The InChIKey is HKNMKCJXTAQMQX-OLGRXRPASA-N. The full InChI is InChI=1S/C18H26O4/c1-19-11-21-14-7-8-15(22-16-4-2-3-9-20-16)18-13-6-5-12(10-13)17(14)18/h5-8,12-18H,2-4,9-11H2,1H3/t12-,13+,14+,15-,16?,17+,18-/m1/s1.
What are the key properties of 2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane?
2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane has a molecular weight of 306.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S,3R,6S,7R,8S)-6-(methoxymethoxy)-3-tricyclo[6.2.1.02,7]undeca-4,9-dienyl]oxy]oxane is sourced from PubChem (CID 100948213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).