(4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane

C14H20O2 — CID 92531894

IUPAC(4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane
SMILESCC(C)c1ccc(C2O[C@@H](C)[C@@H](C)O2)cc1
InChIInChI=1S/C14H20O2/c1-9(2)12-5-7-13(8-6-12)14-15-10(3)11(4)16-14/h5-11,14H,1-4H3/t10-,11+,14?
InChIKeyQTHHOQBCLLTLSZ-BVUQATHDSA-N
MW220.31 g/mol
LogP3.63
Rot. Bonds2

About (4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane

(4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane (PubChem CID 92531894) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane
PubChem CID92531894
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane
SMILESCC(C)c1ccc(C2O[C@@H](C)[C@@H](C)O2)cc1
InChIInChI=1S/C14H20O2/c1-9(2)12-5-7-13(8-6-12)14-15-10(3)11(4)16-14/h5-11,14H,1-4H3/t10-,11+,14?
InChIKeyQTHHOQBCLLTLSZ-BVUQATHDSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
4-(4-propan-2-ylphenyl)pyrazole-3,5-dione
CID 162468857
2,6-dimethyl-4-(4-propan-2-ylphenyl)morpholine
CID 76587760
CID 145383869
CID 145383869
2-methyl-4-(4-propan-2-ylphenyl)azetidine
CID 116821931
(4R)-4-(4-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 170782739
5-oxo-2-(4-propan-2-ylphenyl)oxolane-3-carboxylic acid
CID 102547432
(1S,5R,6R)-5-[(1R)-1,2-dihydroxyethyl]-3,7-bis(4-propan-2-ylphenyl)-2,4-dioxabicyclo[4.2.0]octane-6,8-diol
CID 21129097
(3R)-3-(4-propan-2-ylphenyl)oxane-2,6-dione
CID 98599522
5-methyl-2-(4-propan-2-ylphenyl)morpholine
CID 43174769
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
5-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazole
CID 142422179

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane?
The IUPAC name of (4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane (CID 92531894) is (4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane.
What is the SMILES notation for (4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane?
The canonical SMILES for (4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane is CC(C)c1ccc(C2O[C@@H](C)[C@@H](C)O2)cc1.
What is the InChIKey of (4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane?
The InChIKey is QTHHOQBCLLTLSZ-BVUQATHDSA-N. The full InChI is InChI=1S/C14H20O2/c1-9(2)12-5-7-13(8-6-12)14-15-10(3)11(4)16-14/h5-11,14H,1-4H3/t10-,11+,14?.
What are the key properties of (4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane?
(4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane has a molecular weight of 220.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dimethyl-2-(4-propan-2-ylphenyl)-1,3-dioxolane is sourced from PubChem (CID 92531894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).