(3R,5S)-3-methyl-3,5-diphenyldioxolane

C16H16O2 — CID 12643785

IUPAC(3R,5S)-3-methyl-3,5-diphenyldioxolane
SMILESC[C@]1(c2ccccc2)C[C@@H](c2ccccc2)OO1
InChIInChI=1S/C16H16O2/c1-16(14-10-6-3-7-11-14)12-15(17-18-16)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3/t15-,16+/m0/s1
InChIKeyLQCWRODPHHFJGH-JKSUJKDBSA-N
MW240.30 g/mol
LogP3.99
Rot. Bonds2

About (3R,5S)-3-methyl-3,5-diphenyldioxolane

(3R,5S)-3-methyl-3,5-diphenyldioxolane (PubChem CID 12643785) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (3R,5S)-3-methyl-3,5-diphenyldioxolane.

Molecular Properties

Compound Name(3R,5S)-3-methyl-3,5-diphenyldioxolane
PubChem CID12643785
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(3R,5S)-3-methyl-3,5-diphenyldioxolane
SMILESC[C@]1(c2ccccc2)C[C@@H](c2ccccc2)OO1
InChIInChI=1S/C16H16O2/c1-16(14-10-6-3-7-11-14)12-15(17-18-16)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3/t15-,16+/m0/s1
InChIKeyLQCWRODPHHFJGH-JKSUJKDBSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 23238357
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CID 11629614
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
trans-(1R,2S)-1-methyl-2-phenylcyclopropan-1-amine;hydrochloride
CID 118483877
(1,2,2-trimethyl-3-phenylcyclobutyl)benzene
CID 175871621
3-hydroxy-6-methyl-3,6-diphenyldioxane-4-carbonitrile
CID 15324080
2,4-dimethyl-2-phenyl-3,4-dihydropyran
CID 86735403
(3S,5S)-3,5-dimethyl-5-phenyloxolan-2-one
CID 11745429
(1S,6R)-4-methyl-4-phenyl-3,7-dioxabicyclo[4.1.0]heptane
CID 10774046
ethane;2-phenyloxirane
CID 54171856
3,3,7-trimethyl-7-phenyldioxepane
CID 12716602
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CID 11344328

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-methyl-3,5-diphenyldioxolane?
The IUPAC name of (3R,5S)-3-methyl-3,5-diphenyldioxolane (CID 12643785) is (3R,5S)-3-methyl-3,5-diphenyldioxolane.
What is the SMILES notation for (3R,5S)-3-methyl-3,5-diphenyldioxolane?
The canonical SMILES for (3R,5S)-3-methyl-3,5-diphenyldioxolane is C[C@]1(c2ccccc2)C[C@@H](c2ccccc2)OO1.
What is the InChIKey of (3R,5S)-3-methyl-3,5-diphenyldioxolane?
The InChIKey is LQCWRODPHHFJGH-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H16O2/c1-16(14-10-6-3-7-11-14)12-15(17-18-16)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3/t15-,16+/m0/s1.
What are the key properties of (3R,5S)-3-methyl-3,5-diphenyldioxolane?
(3R,5S)-3-methyl-3,5-diphenyldioxolane has a molecular weight of 240.30 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-methyl-3,5-diphenyldioxolane is sourced from PubChem (CID 12643785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).