(4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane

C18H18O2 — CID 20637649

IUPAC(4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C18H18O2/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h3-12,16-18H,1H2,2H3/t16-,17-/m0/s1
InChIKeyKRODLQZCXJORQQ-IRXDYDNUSA-N
MW266.34 g/mol
LogP4.42
Rot. Bonds3

About (4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane

(4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane (PubChem CID 20637649) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane
PubChem CID20637649
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane
SMILESC=C(C)C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C18H18O2/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h3-12,16-18H,1H2,2H3/t16-,17-/m0/s1
InChIKeyKRODLQZCXJORQQ-IRXDYDNUSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
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CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
2-(4-methylphenyl)-3-phenyloxirane
CID 602487
(2R,3R)-2-phenyl-3-prop-1-en-2-yloxane
CID 134858494
(2R,6R)-2-phenyl-6-prop-1-en-2-yloxane
CID 25232129
(2R,3S)-2-(2-methylprop-1-enyl)-3-phenyloxirane
CID 135545500
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
4-[(4R,5R)-4,5-diphenyl-1,3-dioxolan-2-yl]hepta-1,6-dien-4-ol
CID 102216647
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
(2S,4R,5R)-2-methyl-5-phenyloxolane-3,4-diol
CID 88976580
2-(2-iodophenyl)-3-phenyloxirane
CID 12728141

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane?
The IUPAC name of (4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane (CID 20637649) is (4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane is C=C(C)C1O[C@@H](c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of (4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane?
The InChIKey is KRODLQZCXJORQQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H18O2/c1-13(2)18-19-16(14-9-5-3-6-10-14)17(20-18)15-11-7-4-8-12-15/h3-12,16-18H,1H2,2H3/t16-,17-/m0/s1.
What are the key properties of (4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane?
(4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane has a molecular weight of 266.34 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4,5-diphenyl-2-prop-1-en-2-yl-1,3-dioxolane is sourced from PubChem (CID 20637649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).