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

C10H16O5 — CID 10584814

IUPAC(5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
SMILESCC1(C)OC[C@H]([C@@H](O)[C@H]2CCC(=O)O2)O1
InChIInChI=1S/C10H16O5/c1-10(2)13-5-7(15-10)9(12)6-3-4-8(11)14-6/h6-7,9,12H,3-5H2,1-2H3/t6-,7-,9+/m1/s1
InChIKeyBFDHDTZKLKTVIF-BHNWBGBOSA-N
MW216.23 g/mol
LogP0.20
Rot. Bonds2

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

(5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one (PubChem CID 10584814) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is (5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
PubChem CID10584814
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name(5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
SMILESCC1(C)OC[C@H]([C@@H](O)[C@H]2CCC(=O)O2)O1
InChIInChI=1S/C10H16O5/c1-10(2)13-5-7(15-10)9(12)6-3-4-8(11)14-6/h6-7,9,12H,3-5H2,1-2H3/t6-,7-,9+/m1/s1
InChIKeyBFDHDTZKLKTVIF-BHNWBGBOSA-N
XLogP0.20
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 ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
(5R)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]thiolan-2-one
CID 10879010
3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one
CID 10398391
(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
(3R,5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-3-phenylmethoxyoxolan-2-one
CID 11508056
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-hydroxyacetamide
CID 13388534
1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethanesulfonic acid
CID 87931342
(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethanesulfonic acid
CID 123663147
(4S,5S)-5-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
CID 11118793
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one (CID 10584814) is (5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one is CC1(C)OC[C@H]([C@@H](O)[C@H]2CCC(=O)O2)O1.
What is the InChIKey of (5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one?
The InChIKey is BFDHDTZKLKTVIF-BHNWBGBOSA-N. The full InChI is InChI=1S/C10H16O5/c1-10(2)13-5-7(15-10)9(12)6-3-4-8(11)14-6/h6-7,9,12H,3-5H2,1-2H3/t6-,7-,9+/m1/s1.
What are the key properties of (5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one?
(5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one has a molecular weight of 216.23 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]oxolan-2-one is sourced from PubChem (CID 10584814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).