(1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol

C14H16O6 — CID 101371356

IUPAC(1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
SMILESO[C@H]1C2OC3O[C@@H]1C(OCc1ccccc1)[C@H](O3)[C@H]2O
InChIInChI=1S/C14H16O6/c15-8-10-9(16)12-13(11(8)19-14(18-10)20-12)17-6-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10?,11-,12+,13?,14?/m0/s1
InChIKeyZMBYIYSHPAMJOY-JYSGXIMLSA-N
MW280.28 g/mol
LogP-0.23
Rot. Bonds3

About (1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol

(1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol (PubChem CID 101371356) has the molecular formula C14H16O6 and a molecular weight of 280.28 g/mol. Its IUPAC name is (1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol.

Molecular Properties

Compound Name(1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
PubChem CID101371356
Molecular FormulaC14H16O6
Molecular Weight280.28 g/mol
Exact Mass280.09
IUPAC Name(1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol
SMILESO[C@H]1C2OC3O[C@@H]1C(OCc1ccccc1)[C@H](O3)[C@H]2O
InChIInChI=1S/C14H16O6/c15-8-10-9(16)12-13(11(8)19-14(18-10)20-12)17-6-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10?,11-,12+,13?,14?/m0/s1
InChIKeyZMBYIYSHPAMJOY-JYSGXIMLSA-N
XLogP-0.23
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol with MolForge

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Related Compounds

[(1S,5S,6S,7R,8R,9R)-8-hydroxy-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl] 4-methylbenzenesulfonate
CID 101371360
8,9-bis[(4-methoxyphenyl)methoxy]-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 11842161
methyl 4-[[(5S,7R,8R,9S)-8,9-dihydroxy-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl]oxymethyl]benzoate
CID 11325216
(2S,3S,5S)-2,6-dimethyl-4-phenylmethoxyoxane-3,5-diol
CID 167585367
(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-phenylmethoxy-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 14409479
[(5S,7R,8R,9S)-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-yl] methanesulfonate
CID 11070361
(2S,3S,5R,6R)-4-phenylmethoxyoxane-2,3,5,6-tetrol
CID 131023997
(2R,3S,4S,5R,6R)-2-methyl-3,5,6-tris(phenylmethoxy)oxan-4-ol
CID 11080578
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
3-phenyl-8,9-bis(phenylmethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ol
CID 73048472

Frequently Asked Questions

What is the IUPAC name of (1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The IUPAC name of (1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol (CID 101371356) is (1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol.
What is the SMILES notation for (1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The canonical SMILES for (1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol is O[C@H]1C2OC3O[C@@H]1C(OCc1ccccc1)[C@H](O3)[C@H]2O.
What is the InChIKey of (1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
The InChIKey is ZMBYIYSHPAMJOY-JYSGXIMLSA-N. The full InChI is InChI=1S/C14H16O6/c15-8-10-9(16)12-13(11(8)19-14(18-10)20-12)17-6-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10?,11-,12+,13?,14?/m0/s1.
What are the key properties of (1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol?
(1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol has a molecular weight of 280.28 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R,6S,8S)-9-phenylmethoxy-2,4,10-trioxatricyclo[3.3.1.13,7]decane-6,8-diol is sourced from PubChem (CID 101371356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).