(5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane

C12H16O2 — CID 135013373

IUPAC(5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane
SMILESCC1OC(C)(C)O[C@@H]1c1ccccc1
InChIInChI=1S/C12H16O2/c1-9-11(14-12(2,3)13-9)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t9?,11-/m0/s1
InChIKeyXHBYNHZRKPAKRJ-UMJHXOGRSA-N
MW192.26 g/mol
LogP2.90
Rot. Bonds1

About (5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane

(5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane (PubChem CID 135013373) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane.

Molecular Properties

Compound Name(5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane
PubChem CID135013373
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane
SMILESCC1OC(C)(C)O[C@@H]1c1ccccc1
InChIInChI=1S/C12H16O2/c1-9-11(14-12(2,3)13-9)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t9?,11-/m0/s1
InChIKeyXHBYNHZRKPAKRJ-UMJHXOGRSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzaldehyde dimethyl acetal
CID 62375
1-Phenylethyl propionate
CID 8432
1-Phenylethyl Acetate
CID 62341
Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
alpha-Methylbenzyl formate
CID 346286
Benzyl butyl ether
CID 61134
1-Phenylethyl 2-methylpropanoate
CID 569214
alpha-Methylbenzyl butyrate
CID 570574
Benzaldehyde propylene glycol acetal
CID 595928
(Diethoxymethyl)benzene
CID 69884
1,3-Dioxan-5-ol, 2-phenyl-
CID 74362
1-Phenylpropyl butyrate
CID 61447

Frequently Asked Questions

What is the IUPAC name of (5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane?
The IUPAC name of (5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane (CID 135013373) is (5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane.
What is the SMILES notation for (5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane?
The canonical SMILES for (5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane is CC1OC(C)(C)O[C@@H]1c1ccccc1.
What is the InChIKey of (5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane?
The InChIKey is XHBYNHZRKPAKRJ-UMJHXOGRSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-11(14-12(2,3)13-9)10-7-5-4-6-8-10/h4-9,11H,1-3H3/t9?,11-/m0/s1.
What are the key properties of (5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane?
(5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane has a molecular weight of 192.26 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,4-trimethyl-5-phenyl-1,3-dioxolane is sourced from PubChem (CID 135013373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).