(4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane

C16H24O3 — CID 71534406

IUPAC(4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane
SMILESC[C@@H](CCOCc1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C16H24O3/c1-13(15-12-18-16(2,3)19-15)9-10-17-11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15-/m0/s1
InChIKeyKOEBRZBMOZMVBE-ZFWWWQNUSA-N
MW264.36 g/mol
LogP3.38
Rot. Bonds6

About (4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane

(4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane (PubChem CID 71534406) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane
PubChem CID71534406
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane
SMILESC[C@@H](CCOCc1ccccc1)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C16H24O3/c1-13(15-12-18-16(2,3)19-15)9-10-17-11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15-/m0/s1
InChIKeyKOEBRZBMOZMVBE-ZFWWWQNUSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane 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 (4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane?
The IUPAC name of (4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane (CID 71534406) is (4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane?
The canonical SMILES for (4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane is C[C@@H](CCOCc1ccccc1)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane?
The InChIKey is KOEBRZBMOZMVBE-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H24O3/c1-13(15-12-18-16(2,3)19-15)9-10-17-11-14-7-5-4-6-8-14/h4-8,13,15H,9-12H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of (4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane?
(4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane has a molecular weight of 264.36 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-[(2S)-4-phenylmethoxybutan-2-yl]-1,3-dioxolane is sourced from PubChem (CID 71534406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).