(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol

C22H26O4 — CID 6393557

IUPAC(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol
SMILESOC/C=C/C(OCc1ccccc1)C(/C=C/CO)OCc1ccccc1
InChIInChI=1S/C22H26O4/c23-15-7-13-21(25-17-19-9-3-1-4-10-19)22(14-8-16-24)26-18-20-11-5-2-6-12-20/h1-14,21-24H,15-18H2/b13-7+,14-8+
InChIKeyFNXJSYYICOKACB-FNCQTZNRSA-N
MW354.45 g/mol
LogP3.25
Rot. Bonds11

About (2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol

(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol (PubChem CID 6393557) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol.

Molecular Properties

Compound Name(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol
PubChem CID6393557
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol
SMILESOC/C=C/C(OCc1ccccc1)C(/C=C/CO)OCc1ccccc1
InChIInChI=1S/C22H26O4/c23-15-7-13-21(25-17-19-9-3-1-4-10-19)22(14-8-16-24)26-18-20-11-5-2-6-12-20/h1-14,21-24H,15-18H2/b13-7+,14-8+
InChIKeyFNXJSYYICOKACB-FNCQTZNRSA-N
XLogP3.25
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
(E)-5,5-dimethyl-4-phenylmethoxyhex-2-en-1-ol
CID 139252353
(E,4S,5R)-5-(methoxymethoxy)-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 135036464
(E,4R,5S,6R)-7-azido-4,5,6-tris(phenylmethoxy)hept-2-en-1-ol
CID 101068685
(E,2S,3R)-2,3-bis(phenylmethoxy)hept-4-enal
CID 102023534
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-bis(phenylmethoxy)hex-2-en-1-ol
CID 102359396
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
(Z,4S)-4-methyl-5-phenylmethoxypent-2-en-1-ol
CID 13182140
5-phenylmethoxypent-2-ene-1,4-diol
CID 85308041
(4S)-4,6-bis(methoxymethoxy)-5,7-bis(phenylmethoxy)hept-2-en-1-ol
CID 90855884
3,4-dihydroxy-2-phenylmethoxybutanal
CID 174530051
(E,4R)-4-methyl-5-(phenylmethoxymethoxy)pent-2-en-1-ol
CID 11806633

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol?
The IUPAC name of (2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol (CID 6393557) is (2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol.
What is the SMILES notation for (2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol?
The canonical SMILES for (2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol is OC/C=C/C(OCc1ccccc1)C(/C=C/CO)OCc1ccccc1.
What is the InChIKey of (2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol?
The InChIKey is FNXJSYYICOKACB-FNCQTZNRSA-N. The full InChI is InChI=1S/C22H26O4/c23-15-7-13-21(25-17-19-9-3-1-4-10-19)22(14-8-16-24)26-18-20-11-5-2-6-12-20/h1-14,21-24H,15-18H2/b13-7+,14-8+.
What are the key properties of (2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol?
(2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol has a molecular weight of 354.45 g/mol, XLogP of 3.25, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-4,5-bis(phenylmethoxy)octa-2,6-diene-1,8-diol is sourced from PubChem (CID 6393557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).