(4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane

C15H22O2 — CID 132532341

IUPAC(4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane
SMILESCc1cc(C)c(CC2O[C@H](C)[C@@H](C)O2)c(C)c1
InChIInChI=1S/C15H22O2/c1-9-6-10(2)14(11(3)7-9)8-15-16-12(4)13(5)17-15/h6-7,12-13,15H,8H2,1-5H3/t12-,13-/m1/s1
InChIKeyRMPNMUZXFZVYGJ-CHWSQXEVSA-N
MW234.34 g/mol
LogP3.30
Rot. Bonds2

About (4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane

(4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane (PubChem CID 132532341) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane
PubChem CID132532341
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane
SMILESCc1cc(C)c(CC2O[C@H](C)[C@@H](C)O2)c(C)c1
InChIInChI=1S/C15H22O2/c1-9-6-10(2)14(11(3)7-9)8-15-16-12(4)13(5)17-15/h6-7,12-13,15H,8H2,1-5H3/t12-,13-/m1/s1
InChIKeyRMPNMUZXFZVYGJ-CHWSQXEVSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2,4,6-trimethylphenyl)methanol
CID 143599991
2-[(2-bromo-4,6-dimethylphenyl)methyl]oxirane
CID 170961451
N-methyl-1-[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methanamine
CID 81017073
(3S,5R)-3-hydroxy-4,5-bis[(2,4,6-trimethylphenyl)methyl]oxolan-2-one
CID 101114396
2-(chloromethyl)-1,3,5-trimethylbenzene;methane
CID 158287443
trimethyl-[3-(2,4,6-trimethylphenyl)propyl]silane
CID 71178201
1-(2,4,6-trimethylphenyl)-N-trimethylsilylmethanamine
CID 11964134
2-butyl-1,3,5-trimethylbenzene
CID 527298
1-chloro-2-(cyclopropylmethyl)-3,5-dimethylbenzene
CID 143995722
N-methyl-1-(5-methyloxolan-2-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115828617
N-[[2-[(2,4,6-trimethylphenyl)methyl]cyclobutyl]methyl]propan-2-amine
CID 81017122
2-(2,4,6-trimethylphenyl)acetonitrile
CID 520698

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane?
The IUPAC name of (4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane (CID 132532341) is (4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane is Cc1cc(C)c(CC2O[C@H](C)[C@@H](C)O2)c(C)c1.
What is the InChIKey of (4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane?
The InChIKey is RMPNMUZXFZVYGJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H22O2/c1-9-6-10(2)14(11(3)7-9)8-15-16-12(4)13(5)17-15/h6-7,12-13,15H,8H2,1-5H3/t12-,13-/m1/s1.
What are the key properties of (4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane?
(4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane has a molecular weight of 234.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-dimethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxolane is sourced from PubChem (CID 132532341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).