(2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol

C14H20O6 — CID 133064577

IUPAC(2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)C=Cc1ccccc1
InChIInChI=1S/C14H20O6/c15-8-11(17)13(19)14(20)12(18)10(16)7-6-9-4-2-1-3-5-9/h1-7,10-20H,8H2/t10?,11-,12+,13+,14-/m1/s1
InChIKeyKGYWVVLGBKPYON-HOXDRQDXSA-N
MW284.31 g/mol
LogP-1.50
Rot. Bonds7

About (2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol

(2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol (PubChem CID 133064577) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name(2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol
PubChem CID133064577
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name(2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)C=Cc1ccccc1
InChIInChI=1S/C14H20O6/c15-8-11(17)13(19)14(20)12(18)10(16)7-6-9-4-2-1-3-5-9/h1-7,10-20H,8H2/t10?,11-,12+,13+,14-/m1/s1
InChIKeyKGYWVVLGBKPYON-HOXDRQDXSA-N
XLogP-1.50
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.31
LogP ≤ 5-1.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol?
The IUPAC name of (2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol (CID 133064577) is (2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol.
What is the SMILES notation for (2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol?
The canonical SMILES for (2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol is OC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(O)C=Cc1ccccc1.
What is the InChIKey of (2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol?
The InChIKey is KGYWVVLGBKPYON-HOXDRQDXSA-N. The full InChI is InChI=1S/C14H20O6/c15-8-11(17)13(19)14(20)12(18)10(16)7-6-9-4-2-1-3-5-9/h1-7,10-20H,8H2/t10?,11-,12+,13+,14-/m1/s1.
What are the key properties of (2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol?
(2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol has a molecular weight of 284.31 g/mol, XLogP of -1.50, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5S)-8-phenyloct-7-ene-1,2,3,4,5,6-hexol is sourced from PubChem (CID 133064577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).