(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane

C11H14O2 — CID 68508640

IUPAC(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
SMILESCC1OC(c2ccccc2)O[C@H]1C
InChIInChI=1S/C11H14O2/c1-8-9(2)13-11(12-8)10-6-4-3-5-7-10/h3-9,11H,1-2H3/t8-,9?,11?/m0/s1
InChIKeyKELZBYQXUNVXEU-SILCLGDVSA-N
MW178.23 g/mol
LogP2.51
Rot. Bonds1

About (4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane

(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane (PubChem CID 68508640) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
PubChem CID68508640
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
SMILESCC1OC(c2ccccc2)O[C@H]1C
InChIInChI=1S/C11H14O2/c1-8-9(2)13-11(12-8)10-6-4-3-5-7-10/h3-9,11H,1-2H3/t8-,9?,11?/m0/s1
InChIKeyKELZBYQXUNVXEU-SILCLGDVSA-N
XLogP2.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
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CID 12040001
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CID 118140933
2-phenyl-4-propan-2-yl-1,3-dioxetane
CID 67555130
(2R,4R,4aS,7aS)-4-methyl-2-phenyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-6-ol
CID 11128285
(4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane
CID 92531894
(2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane
CID 132539210
(4aR)-8-methyl-6-phenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3,2]dioxathiine 2,2-dioxide
CID 59911486
(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane
CID 14265871
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
4-methyl-2-phenyl-4a,5,6,7-tetrahydro-4H-1,3-benzodioxine
CID 66916594
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657

Frequently Asked Questions

What is the IUPAC name of (4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane?
The IUPAC name of (4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane (CID 68508640) is (4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane?
The canonical SMILES for (4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane is CC1OC(c2ccccc2)O[C@H]1C.
What is the InChIKey of (4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane?
The InChIKey is KELZBYQXUNVXEU-SILCLGDVSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-9(2)13-11(12-8)10-6-4-3-5-7-10/h3-9,11H,1-2H3/t8-,9?,11?/m0/s1.
What are the key properties of (4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane?
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane has a molecular weight of 178.23 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 68508640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).