(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

C28H52O6 — CID 3051358

IUPAC(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCCCCCCCCCCCCCCCO[C@@H]1C2OC(C)(C)OC2O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C28H52O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-24-23(22-21-30-27(2,3)32-22)31-26-25(24)33-28(4,5)34-26/h22-26H,6-21H2,1-5H3/t22-,23-,24+,25?,26?/m1/s1
InChIKeyDIIKASYRIYNEQV-SXKBUZGKSA-N
MW484.72 g/mol
LogP6.88
Rot. Bonds17

About (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 3051358) has the molecular formula C28H52O6 and a molecular weight of 484.72 g/mol. Its IUPAC name is (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.

Molecular Properties

Compound Name(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID3051358
Molecular FormulaC28H52O6
Molecular Weight484.72 g/mol
Exact Mass484.38
IUPAC Name(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCCCCCCCCCCCCCCCO[C@@H]1C2OC(C)(C)OC2O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C28H52O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-24-23(22-21-30-27(2,3)32-22)31-26-25(24)33-28(4,5)34-26/h22-26H,6-21H2,1-5H3/t22-,23-,24+,25?,26?/m1/s1
InChIKeyDIIKASYRIYNEQV-SXKBUZGKSA-N
XLogP6.88
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.72
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-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 (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The IUPAC name of (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 3051358) is (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
What is the SMILES notation for (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The canonical SMILES for (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CCCCCCCCCCCCCCCCO[C@@H]1C2OC(C)(C)OC2O[C@@H]1[C@H]1COC(C)(C)O1.
What is the InChIKey of (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is DIIKASYRIYNEQV-SXKBUZGKSA-N. The full InChI is InChI=1S/C28H52O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-24-23(22-21-30-27(2,3)32-22)31-26-25(24)33-28(4,5)34-26/h22-26H,6-21H2,1-5H3/t22-,23-,24+,25?,26?/m1/s1.
What are the key properties of (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 484.72 g/mol, XLogP of 6.88, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-hexadecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 3051358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).