(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C20H28O6 — CID 166449099

IUPAC(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](OCCc1ccccc1)O[C@@H]2[C@@H]1COC(C)(C)O1
InChIInChI=1S/C20H28O6/c1-19(2)22-12-14(24-19)15-16-17(26-20(3,4)25-16)18(23-15)21-11-10-13-8-6-5-7-9-13/h5-9,14-18H,10-12H2,1-4H3/t14-,15+,16-,17-,18-/m0/s1
InChIKeySFMNRNFRCFTZKB-ADHGMGHFSA-N
MW364.44 g/mol
LogP2.64
Rot. Bonds5

About (3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 166449099) has the molecular formula C20H28O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is (3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID166449099
Molecular FormulaC20H28O6
Molecular Weight364.44 g/mol
Exact Mass364.19
IUPAC Name(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC1(C)O[C@@H]2[C@H](O1)[C@@H](OCCc1ccccc1)O[C@@H]2[C@@H]1COC(C)(C)O1
InChIInChI=1S/C20H28O6/c1-19(2)22-12-14(24-19)15-16-17(26-20(3,4)25-16)18(23-15)21-11-10-13-8-6-5-7-9-13/h5-9,14-18H,10-12H2,1-4H3/t14-,15+,16-,17-,18-/m0/s1
InChIKeySFMNRNFRCFTZKB-ADHGMGHFSA-N
XLogP2.64
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole 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 (3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of (3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 166449099) is (3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for (3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for (3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is CC1(C)O[C@@H]2[C@H](O1)[C@@H](OCCc1ccccc1)O[C@@H]2[C@@H]1COC(C)(C)O1.
What is the InChIKey of (3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is SFMNRNFRCFTZKB-ADHGMGHFSA-N. The full InChI is InChI=1S/C20H28O6/c1-19(2)22-12-14(24-19)15-16-17(26-20(3,4)25-16)18(23-15)21-11-10-13-8-6-5-7-9-13/h5-9,14-18H,10-12H2,1-4H3/t14-,15+,16-,17-,18-/m0/s1.
What are the key properties of (3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 364.44 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-4-(2-phenylethoxy)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 166449099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).