(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]

C16H26O6 — CID 134845236

IUPAC(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]
SMILESCC1(C)OC[C@H](C2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]23CCCCO3)O1
InChIInChI=1S/C16H26O6/c1-14(2)18-9-10(20-14)11-16(7-5-6-8-17-16)12-13(19-11)22-15(3,4)21-12/h10-13H,5-9H2,1-4H3/t10-,11?,12+,13-,16-/m1/s1
InChIKeyOZHMGLLDRGQVPD-VYPUVKRYSA-N
MW314.38 g/mol
LogP1.95
Rot. Bonds1

About (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]

(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane] (PubChem CID 134845236) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane].

Molecular Properties

Compound Name(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]
PubChem CID134845236
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]
SMILESCC1(C)OC[C@H](C2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]23CCCCO3)O1
InChIInChI=1S/C16H26O6/c1-14(2)18-9-10(20-14)11-16(7-5-6-8-17-16)12-13(19-11)22-15(3,4)21-12/h10-13H,5-9H2,1-4H3/t10-,11?,12+,13-,16-/m1/s1
InChIKeyOZHMGLLDRGQVPD-VYPUVKRYSA-N
XLogP1.95
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]?
The IUPAC name of (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane] (CID 134845236) is (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane].
What is the SMILES notation for (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]?
The canonical SMILES for (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane] is CC1(C)OC[C@H](C2O[C@@H]3OC(C)(C)O[C@@H]3[C@@]23CCCCO3)O1.
What is the InChIKey of (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]?
The InChIKey is OZHMGLLDRGQVPD-VYPUVKRYSA-N. The full InChI is InChI=1S/C16H26O6/c1-14(2)18-9-10(20-14)11-16(7-5-6-8-17-16)12-13(19-11)22-15(3,4)21-12/h10-13H,5-9H2,1-4H3/t10-,11?,12+,13-,16-/m1/s1.
What are the key properties of (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane]?
(3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane] has a molecular weight of 314.38 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethylspiro[5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-6,2'-oxane] is sourced from PubChem (CID 134845236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).