(2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol

C15H22O7 — CID 70140967

IUPAC(2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol
SMILESCCOC(=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccccc1
InChIInChI=1S/C15H22O7/c1-2-22-15(9-6-4-3-5-7-9)14(21)13(20)12(19)11(18)10(17)8-16/h3-7,10-13,16-21H,2,8H2,1H3/t10-,11-,12+,13-/m1/s1
InChIKeySDUPGRXOHVIOEX-FVCCEPFGSA-N
MW314.33 g/mol
LogP-0.61
Rot. Bonds8

About (2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol

(2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol (PubChem CID 70140967) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is (2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol
PubChem CID70140967
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name(2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol
SMILESCCOC(=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccccc1
InChIInChI=1S/C15H22O7/c1-2-22-15(9-6-4-3-5-7-9)14(21)13(20)12(19)11(18)10(17)8-16/h3-7,10-13,16-21H,2,8H2,1H3/t10-,11-,12+,13-/m1/s1
InChIKeySDUPGRXOHVIOEX-FVCCEPFGSA-N
XLogP-0.61
TPSA130.61 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.33
LogP ≤ 5-0.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

7-phenyloct-6-ene-1,2,3,4,5,6-hexol
CID 77266173
benzoic acid;2,3,4,5,6-pentahydroxyhexanoic acid
CID 175226370
ethyl (2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218813
ethyl (2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
CID 54218815
ethyl (2R,3R,4R,5S,6R)-2,3,4,5,6,7-hexahydroxyheptanoate
CID 54186591
[(Z)-1-dimethylselaniumyl-2-ethoxy-2-phenylethenyl]-triphenylphosphanium
CID 23268007
benzoyl benzenecarboperoxoate;1,2,3,4,5-pentahydroxyundecan-6-one
CID 174331561
2-[ethoxy(phenyl)methylidene]propanedioic acid
CID 69168972
benzoyl benzenecarboperoxoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 160746741
[(2R)-2-(methylamino)-1-phenylpropyl] 2,3,4,5,6-pentahydroxyhexanoate
CID 144550419
[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl] benzoate
CID 67929190
ethyl benzoate;methoxymethane;propane-1,2-diol
CID 70372869

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol (CID 70140967) is (2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol is CCOC(=C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccccc1.
What is the InChIKey of (2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol?
The InChIKey is SDUPGRXOHVIOEX-FVCCEPFGSA-N. The full InChI is InChI=1S/C15H22O7/c1-2-22-15(9-6-4-3-5-7-9)14(21)13(20)12(19)11(18)10(17)8-16/h3-7,10-13,16-21H,2,8H2,1H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol?
(2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol has a molecular weight of 314.33 g/mol, XLogP of -0.61, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol is sourced from PubChem (CID 70140967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).