2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

C16H28O6 — CID 166083295

IUPAC2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCC(C)(C)C1OCC(C2OC3OC(C(C)(C)C)OC3C2O)O1
InChIInChI=1S/C16H28O6/c1-15(2,3)13-18-7-8(19-13)10-9(17)11-12(20-10)22-14(21-11)16(4,5)6/h8-14,17H,7H2,1-6H3
InChIKeyXSOVHLLMLQDLQU-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.65
Rot. Bonds1

About 2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol

2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (PubChem CID 166083295) has the molecular formula C16H28O6 and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
PubChem CID166083295
Molecular FormulaC16H28O6
Molecular Weight316.39 g/mol
Exact Mass316.19
IUPAC Name2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
SMILESCC(C)(C)C1OCC(C2OC3OC(C(C)(C)C)OC3C2O)O1
InChIInChI=1S/C16H28O6/c1-15(2,3)13-18-7-8(19-13)10-9(17)11-12(20-10)22-14(21-11)16(4,5)6/h8-14,17H,7H2,1-6H3
InChIKeyXSOVHLLMLQDLQU-UHFFFAOYSA-N
XLogP1.65
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol with MolForge

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Related Compounds

(2S,3aR,5R,6R,6aS)-2-(trichloromethyl)-5-[(2S,4S)-2-(trichloromethyl)-1,3-dioxolan-4-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 125036827
(1R,2R,4R,6R,9R,10R,12R,14R,17R,18R,20R,22R,25R,26R,28R,30R,33R,34R,36R,38R,41R,42R,44R,46R,49R,50R,52R,54R,57R,58R,59R,60R,61R,62R,63R)-3,5,8,11,13,16,19,21,24,27,29,32,35,37,40,43,45,48,51,53,56-henicosaoxapentadecacyclo[50.4.1.14,9.112,17.120,25.128,33.136,41.144,49.02,54.06,10.014,18.022,26.030,34.038,42.046,50]trihexacontane-57,58,59,60,61,62,63-heptol
CID 11366658
2-tert-butyl-1,3-dioxan-5-ol
CID 10931729
(2R,4R)-2-tert-butyl-4-methyl-1,3-dioxolane
CID 170847914
(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 170264987
2-methyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxine-6,7-diol
CID 171620816
N'-[6-hydroxy-5-(2-methyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-2-yl]-N,N,N'-trimethylpropanediamide
CID 171448377
(3aR,5R,6S,6aS)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11888642
(3aS,5S,6S,6aR)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 124744801
2,2-dimethyl-5-[(2R)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 135037394
(1R,2S,6R,7R,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
CID 10465447
(1S,2S,6R,7S,8R)-4,4-dimethyl-3,5,9,11-tetraoxatricyclo[6.2.1.02,6]undecan-7-ol
CID 98453372

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of 2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol (CID 166083295) is 2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for 2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for 2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is CC(C)(C)C1OCC(C2OC3OC(C(C)(C)C)OC3C2O)O1.
What is the InChIKey of 2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
The InChIKey is XSOVHLLMLQDLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O6/c1-15(2,3)13-18-7-8(19-13)10-9(17)11-12(20-10)22-14(21-11)16(4,5)6/h8-14,17H,7H2,1-6H3.
What are the key properties of 2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol?
2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol has a molecular weight of 316.39 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-tert-butyl-1,3-dioxolan-4-yl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 166083295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).