3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol

C7H14O4 — CID 71381727

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol
SMILESCC1(CC(O)CO)OCCO1
InChIInChI=1S/C7H14O4/c1-7(4-6(9)5-8)10-2-3-11-7/h6,8-9H,2-5H2,1H3
InChIKeyFLYCWCAAOZJGHI-UHFFFAOYSA-N
MW162.18 g/mol
LogP-0.51
Rot. Bonds3

About 3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol

3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol (PubChem CID 71381727) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol
PubChem CID71381727
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol
SMILESCC1(CC(O)CO)OCCO1
InChIInChI=1S/C7H14O4/c1-7(4-6(9)5-8)10-2-3-11-7/h6,8-9H,2-5H2,1H3
InChIKeyFLYCWCAAOZJGHI-UHFFFAOYSA-N
XLogP-0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

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CID 439709
Solketal
CID 7528
D-Ribofuranose
CID 5779
Deoxyribose
CID 9828112
alpha-D-ribofuranose
CID 445894
alpha-L-Arabinofuranose
CID 445935
(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
CID 448719
GlyTouCan:G45928XI
CID 439574
beta-L-Ribulose
CID 9920423
beta-D-Ribulose
CID 12358756
beta-D-Xylulofuranose
CID 12358757
2-Deoxy-beta-L-erythro-pentofuranose
CID 22833604

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol (CID 71381727) is 3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol is CC1(CC(O)CO)OCCO1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol?
The InChIKey is FLYCWCAAOZJGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-7(4-6(9)5-8)10-2-3-11-7/h6,8-9H,2-5H2,1H3.
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol?
3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol has a molecular weight of 162.18 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxolan-2-yl)propane-1,2-diol is sourced from PubChem (CID 71381727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).