(3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane

C14H16O5 — CID 102473313

IUPAC(3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane
SMILESCC12O[C@H]3OC[C@@H](O1)[C@H](OCc1ccccc1)[C@H]3O2
InChIInChI=1S/C14H16O5/c1-14-17-10-8-16-13(19-14)12(18-14)11(10)15-7-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11+,12-,13-,14?/m1/s1
InChIKeyMIJIWFISXNYGPK-DYPLGBCKSA-N
MW264.28 g/mol
LogP1.42
Rot. Bonds3

About (3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane

(3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane (PubChem CID 102473313) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is (3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane.

Molecular Properties

Compound Name(3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane
PubChem CID102473313
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name(3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane
SMILESCC12O[C@H]3OC[C@@H](O1)[C@H](OCc1ccccc1)[C@H]3O2
InChIInChI=1S/C14H16O5/c1-14-17-10-8-16-13(19-14)12(18-14)11(10)15-7-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11+,12-,13-,14?/m1/s1
InChIKeyMIJIWFISXNYGPK-DYPLGBCKSA-N
XLogP1.42
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane with MolForge

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Related Compounds

(3aR,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 14163116
(3aR,5S,6S,6aR)-2,2-dimethyl-5-[(2R)-(313C)oxiran-2-yl]-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 11220088
(2R,4R,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 88623037
(1S,2S,4S,6S)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 170910139
(1R,2R,4R,5S,6R)-5-phenylmethoxy-3,8,9-trioxatricyclo[4.2.1.02,4]nonane
CID 10900554
(1S,4S,5R,6S)-1-methyl-5,6-bis(phenylmethoxy)-2,7-dioxabicyclo[2.2.1]heptane
CID 11370807
(1R,2S,4S,5R,8R)-10,10-dimethyl-5-phenylmethoxy-3,7,9,11-tetraoxatricyclo[6.3.0.02,4]undecane
CID 101127715
(1R,2R,3S,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octane
CID 102374432
(1R,2R,3R,4S)-3-fluoro-4-methoxy-2-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane
CID 70384779
(3aR,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 45048567
(1R,2S,3S,4R,5R)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,3-diol
CID 12905001
(1S,2R,3S,4R,5R)-3-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octane-2,4-diol
CID 99123038

Frequently Asked Questions

What is the IUPAC name of (3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane?
The IUPAC name of (3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane (CID 102473313) is (3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane.
What is the SMILES notation for (3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane?
The canonical SMILES for (3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane is CC12O[C@H]3OC[C@@H](O1)[C@H](OCc1ccccc1)[C@H]3O2.
What is the InChIKey of (3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane?
The InChIKey is MIJIWFISXNYGPK-DYPLGBCKSA-N. The full InChI is InChI=1S/C14H16O5/c1-14-17-10-8-16-13(19-14)12(18-14)11(10)15-7-9-5-3-2-4-6-9/h2-6,10-13H,7-8H2,1H3/t10-,11+,12-,13-,14?/m1/s1.
What are the key properties of (3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane?
(3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane has a molecular weight of 264.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R,7S,8R)-1-methyl-7-phenylmethoxy-2,4,9,10-tetraoxatricyclo[4.3.1.03,8]decane is sourced from PubChem (CID 102473313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).