(3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one

C15H26O6 — CID 102028147

IUPAC(3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one
SMILESCC1(C)OC[C@H](C(=O)C(C)(C)[C@H](O)[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C15H26O6/c1-13(2,11(16)9-7-18-14(3,4)20-9)12(17)10-8-19-15(5,6)21-10/h9-11,16H,7-8H2,1-6H3/t9-,10-,11-/m1/s1
InChIKeyBHOOCLOHFUFGAH-GMTAPVOTSA-N
MW302.37 g/mol
LogP1.25
Rot. Bonds4

About (3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one

(3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one (PubChem CID 102028147) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name(3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one
PubChem CID102028147
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name(3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one
SMILESCC1(C)OC[C@H](C(=O)C(C)(C)[C@H](O)[C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C15H26O6/c1-13(2,11(16)9-7-18-14(3,4)20-9)12(17)10-8-19-15(5,6)21-10/h9-11,16H,7-8H2,1-6H3/t9-,10-,11-/m1/s1
InChIKeyBHOOCLOHFUFGAH-GMTAPVOTSA-N
XLogP1.25
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

3-Pentanone, 1-hydroxy-4,4-dimethoxy-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)-, (R*,S*)-
CID 17844179
(2R,4S)-2-tert-butyl-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-2-methyl-1,3-dioxan-5-one
CID 100995186
2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 134929863
(2S,4R)-2-tert-butyl-4-[(R)-(2,2-dimethyl-1,3-dioxolan-4-yl)-hydroxymethyl]-2-methyl-1,3-dioxan-5-one
CID 135016081
[(3S,4S,5R)-2,3-diacetyl-2-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 20765489
3,4-dihydroxy-1-[(4R,5R)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]butan-1-one
CID 57292358
2,2-dimethyl-1-[(2S,3S,4S,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]propan-1-one
CID 60062744
methyl (2R)-2-[(2S,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-hydroxyacetate
CID 68069031
5-Acetyloxy-2-ethoxycarbonyl-5-ethyl-3-methyloxolane-3-carboxylic acid
CID 68587562
1-(4-Hydroxy-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-5-yl)ethanone
CID 69255207
4-Hydroxy-1,1-dimethoxy-4-(2,2,4,5-tetramethyl-1,3-dioxolan-4-yl)butan-2-one
CID 70383751
5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one
CID 71023149

Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one?
The IUPAC name of (3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one (CID 102028147) is (3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one.
What is the SMILES notation for (3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one?
The canonical SMILES for (3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one is CC1(C)OC[C@H](C(=O)C(C)(C)[C@H](O)[C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one?
The InChIKey is BHOOCLOHFUFGAH-GMTAPVOTSA-N. The full InChI is InChI=1S/C15H26O6/c1-13(2,11(16)9-7-18-14(3,4)20-9)12(17)10-8-19-15(5,6)21-10/h9-11,16H,7-8H2,1-6H3/t9-,10-,11-/m1/s1.
What are the key properties of (3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one?
(3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one has a molecular weight of 302.37 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropan-1-one is sourced from PubChem (CID 102028147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).