(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one

C10H16O5 — CID 10560652

IUPAC(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one
SMILESCC1(C)OC[C@@H]([C@]2(CO)CCC(=O)O2)O1
InChIInChI=1S/C10H16O5/c1-9(2)13-5-7(14-9)10(6-11)4-3-8(12)15-10/h7,11H,3-6H2,1-2H3/t7-,10+/m0/s1
InChIKeyPTHYVCVFCWYNIF-OIBJUYFYSA-N
MW216.23 g/mol
LogP0.21
Rot. Bonds2

About (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one

(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one (PubChem CID 10560652) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one
PubChem CID10560652
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one
SMILESCC1(C)OC[C@@H]([C@]2(CO)CCC(=O)O2)O1
InChIInChI=1S/C10H16O5/c1-9(2)13-5-7(14-9)10(6-11)4-3-8(12)15-10/h7,11H,3-6H2,1-2H3/t7-,10+/m0/s1
InChIKeyPTHYVCVFCWYNIF-OIBJUYFYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one with MolForge

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Related Compounds

(5R)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-6-ol
CID 171036232
(6S)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 14165937
(6R)-6-(hydroxymethyl)-6-methyloxan-2-one
CID 129388764
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
(5R)-5-(1-hydroxy-2-methylprop-2-enyl)-5-methyloxolan-2-one
CID 130709259
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]acetic acid
CID 14141015
(3aS)-6-(2,2-dimethyl-1,3-dioxolan-4-yl)-3a-(hydroxymethyl)-2,2-dimethylfuro[3,4-d][1,3]dioxol-4-one
CID 90402150
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride
CID 69349368
2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol
CID 154708000
(3aS,5R,6aS)-5,6a-diethyl-5-(hydroxymethyl)-3a,6-dihydro-3H-furo[3,2-b]furan-2-one
CID 11148586
potassium;(4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydride
CID 173083628
(3aR,6S)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione
CID 58766047

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one?
The IUPAC name of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one (CID 10560652) is (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one.
What is the SMILES notation for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one?
The canonical SMILES for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one is CC1(C)OC[C@@H]([C@]2(CO)CCC(=O)O2)O1.
What is the InChIKey of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one?
The InChIKey is PTHYVCVFCWYNIF-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H16O5/c1-9(2)13-5-7(14-9)10(6-11)4-3-8(12)15-10/h7,11H,3-6H2,1-2H3/t7-,10+/m0/s1.
What are the key properties of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one?
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one has a molecular weight of 216.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-(hydroxymethyl)oxolan-2-one is sourced from PubChem (CID 10560652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).