4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one

C8H14O4 — CID 139968300

IUPAC4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one
SMILESCC(C)(C)C(O)C1COC(=O)O1
InChIInChI=1S/C8H14O4/c1-8(2,3)6(9)5-4-11-7(10)12-5/h5-6,9H,4H2,1-3H3
InChIKeySVHYGZMAGYWEGA-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.93
Rot. Bonds1

About 4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one

4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one (PubChem CID 139968300) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one
PubChem CID139968300
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one
SMILESCC(C)(C)C(O)C1COC(=O)O1
InChIInChI=1S/C8H14O4/c1-8(2,3)6(9)5-4-11-7(10)12-5/h5-6,9H,4H2,1-3H3
InChIKeySVHYGZMAGYWEGA-UHFFFAOYSA-N
XLogP0.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2,2-dimethyl-1-[(2R)-oxiran-2-yl]propan-1-ol
CID 88929556
4-[6-methyl-6-[10-[2-methyl-6-(2-oxo-1,3-dioxolan-4-yl)heptan-2-yl]oxydecoxy]heptan-2-yl]-1,3-dioxolan-2-one
CID 175850247
4-hexan-2-yl-1,3-dioxolan-2-one
CID 142697088
2-methylidene-3-(2-oxo-1,3-dioxolan-4-yl)butanoic acid
CID 22101666
2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one
CID 158234660
1-(1-hydroxyethylsulfanyl)ethanol;4-methyl-1,3-dioxolan-2-one
CID 174868758
4-[iodo-[(2-oxo-1,3-dioxolan-4-yl)amino]methyl]-1,3-dioxolan-2-one
CID 163896779
(2-oxo-1,3-dioxolan-4-yl) 2-methylpropanoate
CID 153224535
4-methyl-1,3-dioxolan-2-one;oxalic acid
CID 159173945
4,5-dihydroxy-1,3-dioxan-2-one
CID 139816851
(2R)-2-[(1S)-1-hydroxy-2,2-dimethylpropyl]-3-methyl-2H-furan-5-one
CID 130891296
tert-butyl (4R,5R)-4-methyl-2-oxo-1,3-dioxane-5-carboxylate
CID 101097758

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one?
The IUPAC name of 4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one (CID 139968300) is 4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one.
What is the SMILES notation for 4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one?
The canonical SMILES for 4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one is CC(C)(C)C(O)C1COC(=O)O1.
What is the InChIKey of 4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one?
The InChIKey is SVHYGZMAGYWEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-8(2,3)6(9)5-4-11-7(10)12-5/h5-6,9H,4H2,1-3H3.
What are the key properties of 4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one?
4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one has a molecular weight of 174.20 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxy-2,2-dimethylpropyl)-1,3-dioxolan-2-one is sourced from PubChem (CID 139968300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).