4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol

C22H24O3 — CID 102216647

IUPAC4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C22H24O3/c1-3-15-22(23,16-4-2)21-24-19(17-11-7-5-8-12-17)20(25-21)18-13-9-6-10-14-18/h3-14,19-21,23H,1-2,15-16H2/t19-,20-/m1/s1
InChIKeyOVJSUYICUJITQS-WOJBJXKFSA-N
MW336.43 g/mol
LogP4.73
Rot. Bonds7

About 4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol

4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol (PubChem CID 102216647) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol.

Molecular Properties

Compound Name4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol
PubChem CID102216647
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol
SMILESC=CCC(O)(CC=C)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C22H24O3/c1-3-15-22(23,16-4-2)21-24-19(17-11-7-5-8-12-17)20(25-21)18-13-9-6-10-14-18/h3-14,19-21,23H,1-2,15-16H2/t19-,20-/m1/s1
InChIKeyOVJSUYICUJITQS-WOJBJXKFSA-N
XLogP4.73
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5R,6R)-2,3-diphenyl-5,6-bis(prop-2-enyl)-1,4-dioxane
CID 11141751
(3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol
CID 134931143
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
1-phenylbut-3-ene-1,1-diol
CID 134892936
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
(4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane
CID 20637649
(1R)-1-[(4S,5R)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]but-3-en-1-ol
CID 10922889
4-ethenyl-2-phenyloxolan-3-ol
CID 130149084
1-bromo-2-phenylpent-4-en-2-ol
CID 72801000
(1S)-1-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-en-1-ol
CID 10631104
(2S,3S)-2-[(2R,3S)-3-phenyloxiran-2-yl]hex-5-en-3-ol
CID 135446200
3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol
CID 154130862

Frequently Asked Questions

What is the IUPAC name of 4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol?
The IUPAC name of 4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol (CID 102216647) is 4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol.
What is the SMILES notation for 4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol?
The canonical SMILES for 4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol is C=CCC(O)(CC=C)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of 4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol?
The InChIKey is OVJSUYICUJITQS-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H24O3/c1-3-15-22(23,16-4-2)21-24-19(17-11-7-5-8-12-17)20(25-21)18-13-9-6-10-14-18/h3-14,19-21,23H,1-2,15-16H2/t19-,20-/m1/s1.
What are the key properties of 4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol?
4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol has a molecular weight of 336.43 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol is sourced from PubChem (CID 102216647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).