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

C12H20O5 — CID 11658797

IUPAC(5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one
SMILESCC1(C)OC[C@@H](C[C@@H](O)C[C@@H]2CCC(=O)O2)O1
InChIInChI=1S/C12H20O5/c1-12(2)15-7-10(17-12)6-8(13)5-9-3-4-11(14)16-9/h8-10,13H,3-7H2,1-2H3/t8-,9-,10+/m0/s1
InChIKeyQOKJASCBUHPWJL-LPEHRKFASA-N
MW244.29 g/mol
LogP0.98
Rot. Bonds4

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

(5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one (PubChem CID 11658797) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is (5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one
PubChem CID11658797
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name(5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one
SMILESCC1(C)OC[C@@H](C[C@@H](O)C[C@@H]2CCC(=O)O2)O1
InChIInChI=1S/C12H20O5/c1-12(2)15-7-10(17-12)6-8(13)5-9-3-4-11(14)16-9/h8-10,13H,3-7H2,1-2H3/t8-,9-,10+/m0/s1
InChIKeyQOKJASCBUHPWJL-LPEHRKFASA-N
XLogP0.98
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

Sorbitan monooctadecanoate
CID 16218600
Sorbitan monododecanoate
CID 11046239
Span 40
CID 16212480
Sorbitan monocaprylate
CID 90474014
[2-(3,4-Dihydroxyoxolan-2-yl)-2-hydroxyethyl] dodecanoate
CID 347468
3,6-Anhydro-1-O-octadecanoylhexitol
CID 3793749
3,6-Anhydro-1-O-hexadecanoylhexitol
CID 4122814
1,4:3,6-Dianhydro-D-glucitol monolaurate
CID 10853743
Mannitan monolaurate
CID 14080301
Sorbitan, nonanoate
CID 73556984
D-Glucitol, 1,4-anhydro-, 6-dodecanoate
CID 111116
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 5-hydroxydecanoate
CID 71587572

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one?
The IUPAC name of (5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one (CID 11658797) is (5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one.
What is the SMILES notation for (5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one?
The canonical SMILES for (5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one is CC1(C)OC[C@@H](C[C@@H](O)C[C@@H]2CCC(=O)O2)O1.
What is the InChIKey of (5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one?
The InChIKey is QOKJASCBUHPWJL-LPEHRKFASA-N. The full InChI is InChI=1S/C12H20O5/c1-12(2)15-7-10(17-12)6-8(13)5-9-3-4-11(14)16-9/h8-10,13H,3-7H2,1-2H3/t8-,9-,10+/m0/s1.
What are the key properties of (5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one?
(5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one has a molecular weight of 244.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxypropyl]oxolan-2-one is sourced from PubChem (CID 11658797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).