(3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol

C23H28O3 — CID 134931143

IUPAC(3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol
SMILESC=C[C@](O)(CCCCC)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H28O3/c1-3-5-12-17-23(24,4-2)22-25-20(18-13-8-6-9-14-18)21(26-22)19-15-10-7-11-16-19/h4,6-11,13-16,20-22,24H,2-3,5,12,17H2,1H3/t20-,21-,23+/m1/s1
InChIKeyICFWRLQJHGFFMY-XPNTWCBSSA-N
MW352.47 g/mol
LogP5.34
Rot. Bonds8

About (3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol

(3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol (PubChem CID 134931143) has the molecular formula C23H28O3 and a molecular weight of 352.47 g/mol. Its IUPAC name is (3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol.

Molecular Properties

Compound Name(3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol
PubChem CID134931143
Molecular FormulaC23H28O3
Molecular Weight352.47 g/mol
Exact Mass352.20
IUPAC Name(3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol
SMILESC=C[C@](O)(CCCCC)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1
InChIInChI=1S/C23H28O3/c1-3-5-12-17-23(24,4-2)22-25-20(18-13-8-6-9-14-18)21(26-22)19-15-10-7-11-16-19/h4,6-11,13-16,20-22,24H,2-3,5,12,17H2,1H3/t20-,21-,23+/m1/s1
InChIKeyICFWRLQJHGFFMY-XPNTWCBSSA-N
XLogP5.34
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol with MolForge

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Related Compounds

4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol
CID 102216647
6-[(E)-2-phenylethenyl]undecan-6-ol
CID 16664378
3-benzyl-3-ethenyl-2-methylheptadecan-2-amine
CID 69022201
chlorobenzene;undecane-5,5-diol
CID 159903559
3-trimethylsilyloct-1-en-3-ol
CID 13249706
(4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane
CID 20637649
3-(chloromethyl)dodec-1-en-3-ylbenzene
CID 157318914
5-phenyltetradecan-5-ol
CID 175223116
5-phenylundecan-5-ol
CID 175525363
3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol
CID 154130862
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
3-trimethylsilyldodec-1-en-3-ol
CID 12519745

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol?
The IUPAC name of (3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol (CID 134931143) is (3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol.
What is the SMILES notation for (3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol?
The canonical SMILES for (3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol is C=C[C@](O)(CCCCC)C1O[C@H](c2ccccc2)[C@@H](c2ccccc2)O1.
What is the InChIKey of (3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol?
The InChIKey is ICFWRLQJHGFFMY-XPNTWCBSSA-N. The full InChI is InChI=1S/C23H28O3/c1-3-5-12-17-23(24,4-2)22-25-20(18-13-8-6-9-14-18)21(26-22)19-15-10-7-11-16-19/h4,6-11,13-16,20-22,24H,2-3,5,12,17H2,1H3/t20-,21-,23+/m1/s1.
What are the key properties of (3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol?
(3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol has a molecular weight of 352.47 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]oct-1-en-3-ol is sourced from PubChem (CID 134931143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).