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

C15H26O6 — CID 3055064

IUPAC(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-propoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCCO[C@@H]1C2OC(C)(C)OC2O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O6/c1-6-7-16-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h9-13H,6-8H2,1-5H3/t9-,10-,11+,12?,13?/m1/s1
InChIKeyWHYCYJUAIQNWPT-VFPQWFPESA-N
MW302.37 g/mol
LogP1.81
Rot. Bonds4

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

(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-propoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (PubChem CID 3055064) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-propoxy-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]-2,2-dimethyl-6-propoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
PubChem CID3055064
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-propoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
SMILESCCCO[C@@H]1C2OC(C)(C)OC2O[C@@H]1[C@H]1COC(C)(C)O1
InChIInChI=1S/C15H26O6/c1-6-7-16-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h9-13H,6-8H2,1-5H3/t9-,10-,11+,12?,13?/m1/s1
InChIKeyWHYCYJUAIQNWPT-VFPQWFPESA-N
XLogP1.81
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-propoxy-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]-2,2-dimethyl-6-propoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole (CID 3055064) is (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-propoxy-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]-2,2-dimethyl-6-propoxy-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]-2,2-dimethyl-6-propoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is CCCO[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]-2,2-dimethyl-6-propoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
The InChIKey is WHYCYJUAIQNWPT-VFPQWFPESA-N. The full InChI is InChI=1S/C15H26O6/c1-6-7-16-11-10(9-8-17-14(2,3)19-9)18-13-12(11)20-15(4,5)21-13/h9-13H,6-8H2,1-5H3/t9-,10-,11+,12?,13?/m1/s1.
What are the key properties of (5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-propoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole?
(5R,6S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-propoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole has a molecular weight of 302.37 g/mol, XLogP of 1.81, 4 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]-2,2-dimethyl-6-propoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole is sourced from PubChem (CID 3055064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).