(4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane

C23H30O2 — CID 10569042

IUPAC(4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane
SMILESCc1cc(C)c([C@H]2OC(C)(C)O[C@@H]2c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C23H30O2/c1-13-9-15(3)19(16(4)10-13)21-22(25-23(7,8)24-21)20-17(5)11-14(2)12-18(20)6/h9-12,21-22H,1-8H3/t21-,22-/m1/s1
InChIKeyOLQLOQMWRRIAAN-FGZHOGPDSA-N
MW338.49 g/mol
LogP6.10
Rot. Bonds2

About (4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane

(4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane (PubChem CID 10569042) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is (4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane
PubChem CID10569042
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name(4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane
SMILESCc1cc(C)c([C@H]2OC(C)(C)O[C@@H]2c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C23H30O2/c1-13-9-15(3)19(16(4)10-13)21-22(25-23(7,8)24-21)20-17(5)11-14(2)12-18(20)6/h9-12,21-22H,1-8H3/t21-,22-/m1/s1
InChIKeyOLQLOQMWRRIAAN-FGZHOGPDSA-N
XLogP6.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane with MolForge

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Related Compounds

3-(2-methoxy-4,6-dimethylphenyl)-2,2-dimethyloxirane
CID 116864087
(2E,5S,9R,10S,11Z,14S,16S)-7,7,14,18,20-pentamethyl-6,8,15-trioxatricyclo[15.4.0.05,9]henicosa-1(21),2,11,17,19-pentaene-10,16-diol
CID 58304940
(E)-3-[(4R,5R)-5-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-en-1-ol
CID 44549834
[(4R,5R)-5-[bis(3,5-dimethylphenyl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(3,5-dimethylphenyl)methanol
CID 10370975
1-methyl-2-(2,4,6-trimethylphenyl)cyclopropane-1-carbonitrile
CID 116841989
2,2-dimethyl-3-(2,4,6-trimethylphenyl)cyclopropane-1-carboxylic acid
CID 82159024
4,4-dimethyl-2-(2,4,6-trimethylphenyl)cyclopentane-1,3-dione
CID 54076048
1-phenyl-2,4-bis(2,4,6-trimethylphenyl)bicyclo[1.1.0]butane
CID 15554646
(2S,3S)-2-(4-methylphenyl)sulfonyl-3-(2,4,6-trimethylphenyl)oxirane
CID 71411447
4-methyl-2-(2,4,6-trimethylphenyl)oxan-4-ol
CID 16655529
(2S,3R)-2-methyl-3-(2,4,6-trimethylphenyl)aziridine
CID 59591642
2-methyl-2-(2-methylpropyl)-6-(2,4,6-trimethylphenyl)morpholine
CID 66178760

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane?
The IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane (CID 10569042) is (4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane?
The canonical SMILES for (4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane is Cc1cc(C)c([C@H]2OC(C)(C)O[C@@H]2c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of (4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane?
The InChIKey is OLQLOQMWRRIAAN-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H30O2/c1-13-9-15(3)19(16(4)10-13)21-22(25-23(7,8)24-21)20-17(5)11-14(2)12-18(20)6/h9-12,21-22H,1-8H3/t21-,22-/m1/s1.
What are the key properties of (4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane?
(4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane has a molecular weight of 338.49 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-dimethyl-4,5-bis(2,4,6-trimethylphenyl)-1,3-dioxolane is sourced from PubChem (CID 10569042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).