3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one

C10H16O5 — CID 10398391

IUPAC3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
SMILESCC1(C)OC[C@H](C(O)C2CCOC2=O)O1
InChIInChI=1S/C10H16O5/c1-10(2)14-5-7(15-10)8(11)6-3-4-13-9(6)12/h6-8,11H,3-5H2,1-2H3/t6?,7-,8?/m1/s1
InChIKeyCPXWLQITBJVESW-ZUEIMRROSA-N
MW216.23 g/mol
LogP0.06
Rot. Bonds2

About 3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one

3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one (PubChem CID 10398391) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one.

Molecular Properties

Compound Name3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
PubChem CID10398391
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
SMILESCC1(C)OC[C@H](C(O)C2CCOC2=O)O1
InChIInChI=1S/C10H16O5/c1-10(2)14-5-7(15-10)8(11)6-3-4-13-9(6)12/h6-8,11H,3-5H2,1-2H3/t6?,7-,8?/m1/s1
InChIKeyCPXWLQITBJVESW-ZUEIMRROSA-N
XLogP0.06
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
(5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
CID 10584814
(5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]thiolan-2-one
CID 10879010
(1S)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 122451653
(1R)-2,2,2-trichloro-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
CID 59052003
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 129075073
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetamide
CID 13388534
(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one
CID 100975981
(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethanesulfonic acid
CID 123663147
(4S)-4-ethyl-2,2-dimethyl-1,3-dioxolane;3-methyloxolan-2-one
CID 143841960
(4S,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11118793
4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,4-trihydroxybutan-2-one
CID 101217854

Frequently Asked Questions

What is the IUPAC name of 3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one?
The IUPAC name of 3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one (CID 10398391) is 3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one.
What is the SMILES notation for 3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one?
The canonical SMILES for 3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one is CC1(C)OC[C@H](C(O)C2CCOC2=O)O1.
What is the InChIKey of 3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one?
The InChIKey is CPXWLQITBJVESW-ZUEIMRROSA-N. The full InChI is InChI=1S/C10H16O5/c1-10(2)14-5-7(15-10)8(11)6-3-4-13-9(6)12/h6-8,11H,3-5H2,1-2H3/t6?,7-,8?/m1/s1.
What are the key properties of 3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one?
3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one has a molecular weight of 216.23 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one is sourced from PubChem (CID 10398391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).