7-phenyloct-6-ene-1,2,3,4,5,6-hexol

C14H20O6 — CID 77266173

IUPAC7-phenyloct-6-ene-1,2,3,4,5,6-hexol
SMILESCC(=C(O)C(O)C(O)C(O)C(O)CO)c1ccccc1
InChIInChI=1S/C14H20O6/c1-8(9-5-3-2-4-6-9)11(17)13(19)14(20)12(18)10(16)7-15/h2-6,10,12-20H,7H2,1H3
InChIKeyQUPVQYJKOJYRSJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.59
Rot. Bonds6

About 7-phenyloct-6-ene-1,2,3,4,5,6-hexol

7-phenyloct-6-ene-1,2,3,4,5,6-hexol (PubChem CID 77266173) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is 7-phenyloct-6-ene-1,2,3,4,5,6-hexol.

Molecular Properties

Compound Name7-phenyloct-6-ene-1,2,3,4,5,6-hexol
PubChem CID77266173
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name7-phenyloct-6-ene-1,2,3,4,5,6-hexol
SMILESCC(=C(O)C(O)C(O)C(O)C(O)CO)c1ccccc1
InChIInChI=1S/C14H20O6/c1-8(9-5-3-2-4-6-9)11(17)13(19)14(20)12(18)10(16)7-15/h2-6,10,12-20H,7H2,1H3
InChIKeyQUPVQYJKOJYRSJ-UHFFFAOYSA-N
XLogP-0.59
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4S,5R)-7-ethoxy-7-phenylhept-6-ene-1,2,3,4,5,6-hexol
CID 70140967
benzoic acid;2,3,4,5,6-pentahydroxyhexanoic acid
CID 175226370
(2S,3S,4S,5S)-7-phenylheptane-1,2,3,4,5,6-hexol
CID 159388961
benzoyl benzenecarboperoxoate;1,2,3,4,5-pentahydroxyundecan-6-one
CID 174331561
(2S,5R,6S,7R,8R)-2-amino-5,6,7,8,9-pentahydroxy-1-phenylnonane-3,4-dione
CID 90850426
(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxy-N-(2-phenylethyl)hexanamide
CID 92529727
(2S,3R,4R,5R,6R)-2,3,4,5,6,7-hexahydroxy-N-phenylheptanamide
CID 7921985
[(2R,3S,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl] benzoate
CID 67929190
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
CID 66722513
2,3,4,5,6-pentahydroxyhexanoic acid;bis(propan-2-one)
CID 174325080
acetic acid;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 155668282
(2R,3R,4S,5R)-7-(2-butylphenyl)hept-6-ene-1,2,3,4,5,6-hexol
CID 141330903

Frequently Asked Questions

What is the IUPAC name of 7-phenyloct-6-ene-1,2,3,4,5,6-hexol?
The IUPAC name of 7-phenyloct-6-ene-1,2,3,4,5,6-hexol (CID 77266173) is 7-phenyloct-6-ene-1,2,3,4,5,6-hexol.
What is the SMILES notation for 7-phenyloct-6-ene-1,2,3,4,5,6-hexol?
The canonical SMILES for 7-phenyloct-6-ene-1,2,3,4,5,6-hexol is CC(=C(O)C(O)C(O)C(O)C(O)CO)c1ccccc1.
What is the InChIKey of 7-phenyloct-6-ene-1,2,3,4,5,6-hexol?
The InChIKey is QUPVQYJKOJYRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-8(9-5-3-2-4-6-9)11(17)13(19)14(20)12(18)10(16)7-15/h2-6,10,12-20H,7H2,1H3.
What are the key properties of 7-phenyloct-6-ene-1,2,3,4,5,6-hexol?
7-phenyloct-6-ene-1,2,3,4,5,6-hexol has a molecular weight of 284.31 g/mol, XLogP of -0.59, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyloct-6-ene-1,2,3,4,5,6-hexol is sourced from PubChem (CID 77266173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).