(1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane

C17H22O5 — CID 154479665

IUPAC(1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane
SMILESCOC1CC[C@@]23OCC(O2)[C@@H](OCc2ccccc2)C[C@H]3O1
InChIInChI=1S/C17H22O5/c1-18-16-7-8-17-15(21-16)9-13(14(22-17)11-20-17)19-10-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3/t13-,14?,15+,16?,17+/m0/s1
InChIKeyUVKPFOFOLBKBFS-AMPGOEKISA-N
MW306.36 g/mol
LogP2.24
Rot. Bonds4

About (1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane

(1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane (PubChem CID 154479665) has the molecular formula C17H22O5 and a molecular weight of 306.36 g/mol. Its IUPAC name is (1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane.

Molecular Properties

Compound Name(1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane
PubChem CID154479665
Molecular FormulaC17H22O5
Molecular Weight306.36 g/mol
Exact Mass306.15
IUPAC Name(1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane
SMILESCOC1CC[C@@]23OCC(O2)[C@@H](OCc2ccccc2)C[C@H]3O1
InChIInChI=1S/C17H22O5/c1-18-16-7-8-17-15(21-16)9-13(14(22-17)11-20-17)19-10-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3/t13-,14?,15+,16?,17+/m0/s1
InChIKeyUVKPFOFOLBKBFS-AMPGOEKISA-N
XLogP2.24
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane with MolForge

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Related Compounds

(1R,2S,4R)-5-(2-fluoroethyl)-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384741
(1S,2R,4S)-2-methoxy-5-methyl-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384086
(1S,2S,4R,5R)-2,4-bis(phenylmethoxy)-8-oxabicyclo[3.2.1]octane
CID 71725331
6-methoxy-2-methylidene-3,4-bis(phenylmethoxy)oxane
CID 20751877
[(2R,3S)-5-methoxy-3-phenylmethoxyoxolan-2-yl]methanol
CID 70448323
(1S)-1-[(2R,3S,6S)-6-methoxy-3-phenylmethoxyoxan-2-yl]-2-methylprop-2-en-1-ol
CID 11011793
(2R,4S,5R)-2-methoxy-5-phenylmethoxyoxan-4-ol
CID 11746679
4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 14850336
(4aR,6S,8R,8aS)-6-methoxy-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
CID 138713352
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(1S,4S,5R,6S)-1-methyl-5,6-bis(phenylmethoxy)-2,7-dioxabicyclo[2.2.1]heptane
CID 11370807
5-methoxy-2-phenylmethoxyoxolane-2-carbaldehyde
CID 172728928

Frequently Asked Questions

What is the IUPAC name of (1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane?
The IUPAC name of (1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane (CID 154479665) is (1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane.
What is the SMILES notation for (1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane?
The canonical SMILES for (1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane is COC1CC[C@@]23OCC(O2)[C@@H](OCc2ccccc2)C[C@H]3O1.
What is the InChIKey of (1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane?
The InChIKey is UVKPFOFOLBKBFS-AMPGOEKISA-N. The full InChI is InChI=1S/C17H22O5/c1-18-16-7-8-17-15(21-16)9-13(14(22-17)11-20-17)19-10-12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3/t13-,14?,15+,16?,17+/m0/s1.
What are the key properties of (1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane?
(1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane has a molecular weight of 306.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,8S)-4-methoxy-8-phenylmethoxy-5,11,12-trioxatricyclo[7.2.1.01,6]dodecane is sourced from PubChem (CID 154479665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).