(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate

C24H38O4 — CID 71052698

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate
SMILESCC(C)C(CC(C)(C)C(C)(C)C(=O)OCC1COC(C)(C)O1)c1ccccc1
InChIInChI=1S/C24H38O4/c1-17(2)20(18-12-10-9-11-13-18)14-22(3,4)23(5,6)21(25)26-15-19-16-27-24(7,8)28-19/h9-13,17,19-20H,14-16H2,1-8H3
InChIKeyKGUJJYVPZPHAPB-UHFFFAOYSA-N
MW390.56 g/mol
LogP5.56
Rot. Bonds8

About (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate

(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate (PubChem CID 71052698) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate
PubChem CID71052698
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate
SMILESCC(C)C(CC(C)(C)C(C)(C)C(=O)OCC1COC(C)(C)O1)c1ccccc1
InChIInChI=1S/C24H38O4/c1-17(2)20(18-12-10-9-11-13-18)14-22(3,4)23(5,6)21(25)26-15-19-16-27-24(7,8)28-19/h9-13,17,19-20H,14-16H2,1-8H3
InChIKeyKGUJJYVPZPHAPB-UHFFFAOYSA-N
XLogP5.56
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate (CID 71052698) is (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate is CC(C)C(CC(C)(C)C(C)(C)C(=O)OCC1COC(C)(C)O1)c1ccccc1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate?
The InChIKey is KGUJJYVPZPHAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38O4/c1-17(2)20(18-12-10-9-11-13-18)14-22(3,4)23(5,6)21(25)26-15-19-16-27-24(7,8)28-19/h9-13,17,19-20H,14-16H2,1-8H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate?
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate has a molecular weight of 390.56 g/mol, XLogP of 5.56, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 2,2,3,3,6-pentamethyl-5-phenylheptanoate is sourced from PubChem (CID 71052698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).