2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol

C12H22O5 — CID 58219246

IUPAC2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol
SMILESCC(C)CC1(C)OCC(C2OCC(O)C2O)O1
InChIInChI=1S/C12H22O5/c1-7(2)4-12(3)16-6-9(17-12)11-10(14)8(13)5-15-11/h7-11,13-14H,4-6H2,1-3H3
InChIKeyWKCKIFPMNYGXMT-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.28
Rot. Bonds3

About 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol

2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol (PubChem CID 58219246) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol.

Molecular Properties

Compound Name2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol
PubChem CID58219246
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol
SMILESCC(C)CC1(C)OCC(C2OCC(O)C2O)O1
InChIInChI=1S/C12H22O5/c1-7(2)4-12(3)16-6-9(17-12)11-10(14)8(13)5-15-11/h7-11,13-14H,4-6H2,1-3H3
InChIKeyWKCKIFPMNYGXMT-UHFFFAOYSA-N
XLogP0.28
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,4aR,7S,7aR)-2-methyl-2-(2-methylpropyl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 67888562
(2S,3R)-butane-1,2,3,4-tetrol;hydron;2-methyl-4-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]-2-(2-methylpropyl)-1,3-dioxolane;4-methylpentan-2-one
CID 158542366
2-methyl-2-(2-methylpropyl)-1,3-dioxan-4-ol
CID 139633444
(2S,4S)-4-(chloromethyl)-2-methyl-2-(2-methylpropyl)-1,3-dioxolane
CID 932583
3-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]-4,10,14,20,22,23-hexaoxatricyclo[17.2.1.12,5]tricosane-9,15-dione
CID 118442003
2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetic acid
CID 117169750
2-methyl-4-[[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]methoxymethyl]-2-(2-methylpropyl)-1,3-dioxolane
CID 58219208
(2S,4R)-2-[(4R)-2-methyl-1,3-dioxolan-4-yl]oxolane-3,4-diol
CID 129085380
5-(2-ethyl-2-methyl-1,3-dioxolan-4-yl)oxolane-2,3-diol
CID 123450262
methyl 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]acetate
CID 117169751
2-methyl-4-(4-methylpentan-2-yloxy)-2-(2-methylpropyl)-1,3-dioxolane
CID 22072724
(4aR,7S,7aS)-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 102332171

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol?
The IUPAC name of 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol (CID 58219246) is 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol.
What is the SMILES notation for 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol?
The canonical SMILES for 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol is CC(C)CC1(C)OCC(C2OCC(O)C2O)O1.
What is the InChIKey of 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol?
The InChIKey is WKCKIFPMNYGXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-7(2)4-12(3)16-6-9(17-12)11-10(14)8(13)5-15-11/h7-11,13-14H,4-6H2,1-3H3.
What are the key properties of 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol?
2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol has a molecular weight of 246.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(2-methylpropyl)-1,3-dioxolan-4-yl]oxolane-3,4-diol is sourced from PubChem (CID 58219246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).