1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol

C13H24O6 — CID 20700280

IUPAC1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol
SMILESCC1(C)OCC(CC(O)C(O)C2COC(C)(C)O2)O1
InChIInChI=1S/C13H24O6/c1-12(2)16-6-8(18-12)5-9(14)11(15)10-7-17-13(3,4)19-10/h8-11,14-15H,5-7H2,1-4H3
InChIKeyLXPFUDXUYIATKL-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.40
Rot. Bonds4

About 1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol

1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol (PubChem CID 20700280) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol.

Molecular Properties

Compound Name1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol
PubChem CID20700280
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol
SMILESCC1(C)OCC(CC(O)C(O)C2COC(C)(C)O2)O1
InChIInChI=1S/C13H24O6/c1-12(2)16-6-8(18-12)5-9(14)11(15)10-7-17-13(3,4)19-10/h8-11,14-15H,5-7H2,1-4H3
InChIKeyLXPFUDXUYIATKL-UHFFFAOYSA-N
XLogP0.40
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(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,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-1-ol
CID 13428079
(1S,2R,3S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butane-1,2,3,4-tetrol
CID 123134144
bis(2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 4047032
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pentan-2-ol
CID 57409905
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 68974036
3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2-methylpropanal
CID 12641543
(1R,2S)-1,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)-2-ethenoxyethanol
CID 11254743
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 129075073
(1S,2S)-1,2-bis[(4R)-2-(deuteriomethyl)-2-methyl-1,3-dioxolan-4-yl]ethane-1,2-diol
CID 57154703
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,3-diol
CID 67908646

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol?
The IUPAC name of 1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol (CID 20700280) is 1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol.
What is the SMILES notation for 1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol?
The canonical SMILES for 1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol is CC1(C)OCC(CC(O)C(O)C2COC(C)(C)O2)O1.
What is the InChIKey of 1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol?
The InChIKey is LXPFUDXUYIATKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O6/c1-12(2)16-6-8(18-12)5-9(14)11(15)10-7-17-13(3,4)19-10/h8-11,14-15H,5-7H2,1-4H3.
What are the key properties of 1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol?
1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol has a molecular weight of 276.33 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propane-1,2-diol is sourced from PubChem (CID 20700280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).