(2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol

C11H22O4 — CID 14061487

IUPAC(2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
SMILESC[C@H]([C@H](O)[C@@H](C)CO)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H22O4/c1-7(5-12)10(13)8(2)9-6-14-11(3,4)15-9/h7-10,12-13H,5-6H2,1-4H3/t7-,8-,9-,10+/m0/s1
InChIKeyRJEZARLDJORTSX-AATLWQCWSA-N
MW218.29 g/mol
LogP0.76
Rot. Bonds4

About (2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol

(2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol (PubChem CID 14061487) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is (2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol.

Molecular Properties

Compound Name(2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
PubChem CID14061487
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name(2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol
SMILESC[C@H]([C@H](O)[C@@H](C)CO)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H22O4/c1-7(5-12)10(13)8(2)9-6-14-11(3,4)15-9/h7-10,12-13H,5-6H2,1-4H3/t7-,8-,9-,10+/m0/s1
InChIKeyRJEZARLDJORTSX-AATLWQCWSA-N
XLogP0.76
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol with MolForge

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Related Compounds

1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
(1S,2R,3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-1,2,3,4-tetrol
CID 123134144
(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
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol
CID 67908646
4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,3,4-trihydroxybutan-2-one
CID 101217854
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-ol
CID 59226561
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxy-3-methylbutan-2-ol
CID 123800024
4-[(1R)-1-chloroethyl]-2,2-dimethyl-1,3-dioxolane
CID 130925842
(1R,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-1-ol
CID 13428079
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanal
CID 12641543
(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-tributylstannylmethanol
CID 11166077

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol?
The IUPAC name of (2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol (CID 14061487) is (2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol.
What is the SMILES notation for (2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol?
The canonical SMILES for (2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol is C[C@H]([C@H](O)[C@@H](C)CO)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol?
The InChIKey is RJEZARLDJORTSX-AATLWQCWSA-N. The full InChI is InChI=1S/C11H22O4/c1-7(5-12)10(13)8(2)9-6-14-11(3,4)15-9/h7-10,12-13H,5-6H2,1-4H3/t7-,8-,9-,10+/m0/s1.
What are the key properties of (2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol?
(2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol has a molecular weight of 218.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-4-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpentane-1,3-diol is sourced from PubChem (CID 14061487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).