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

C7H14O4 — CID 68974036

IUPAC1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCC1(C)OC[C@H](C(O)CO)O1
InChIInChI=1S/C7H14O4/c1-7(2)10-4-6(11-7)5(9)3-8/h5-6,8-9H,3-4H2,1-2H3/t5?,6-/m1/s1
InChIKeyBZABFXBQVVXUNT-PRJDIBJQSA-N
MW162.18 g/mol
LogP-0.51
Rot. Bonds2

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

1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (PubChem CID 68974036) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
PubChem CID68974036
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
SMILESCC1(C)OC[C@H](C(O)CO)O1
InChIInChI=1S/C7H14O4/c1-7(2)10-4-6(11-7)5(9)3-8/h5-6,8-9H,3-4H2,1-2H3/t5?,6-/m1/s1
InChIKeyBZABFXBQVVXUNT-PRJDIBJQSA-N
XLogP-0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol (CID 68974036) is 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is CC1(C)OC[C@H](C(O)CO)O1.
What is the InChIKey of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
The InChIKey is BZABFXBQVVXUNT-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H14O4/c1-7(2)10-4-6(11-7)5(9)3-8/h5-6,8-9H,3-4H2,1-2H3/t5?,6-/m1/s1.
What are the key properties of 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol?
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol has a molecular weight of 162.18 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol is sourced from PubChem (CID 68974036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).