1-(oxolan-2-yl)propane-1,3-diol

C7H14O3 — CID 119055061

IUPAC1-(oxolan-2-yl)propane-1,3-diol
SMILESOCCC(O)C1CCCO1
InChIInChI=1S/C7H14O3/c8-4-3-6(9)7-2-1-5-10-7/h6-9H,1-5H2
InChIKeySLRIAGYRTWZYSE-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.09
Rot. Bonds3

About 1-(oxolan-2-yl)propane-1,3-diol

1-(oxolan-2-yl)propane-1,3-diol (PubChem CID 119055061) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-(oxolan-2-yl)propane-1,3-diol.

Molecular Properties

Compound Name1-(oxolan-2-yl)propane-1,3-diol
PubChem CID119055061
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name1-(oxolan-2-yl)propane-1,3-diol
SMILESOCCC(O)C1CCCO1
InChIInChI=1S/C7H14O3/c8-4-3-6(9)7-2-1-5-10-7/h6-9H,1-5H2
InChIKeySLRIAGYRTWZYSE-UHFFFAOYSA-N
XLogP-0.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(oxan-2-yl)propane-1,3-diol
CID 57060644
1-(oxolan-2-yl)pent-4-en-1-ol
CID 10511102
(1S)-1-[(2R)-oxolan-2-yl]hexan-1-ol
CID 10997513
(1S)-1-(oxolan-2-yl)propan-1-ol
CID 67355523
(1R)-1-[(2S)-oxolan-2-yl]propan-1-ol
CID 67355521
3-iodo-1-(oxan-2-yl)propan-1-ol
CID 57165332
(1R)-1-[(2R)-oxolan-2-yl]tridecan-1-ol
CID 11086843
1-(oxolan-2-yl)heptan-1-ol
CID 65331076
3-methyl-1-(oxolan-2-yl)hexan-1-ol
CID 65331190
(1S)-1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 142398679
1-(oxolan-2-yl)propan-1-ol;propane-2,2-diol
CID 156747479
1-(oxolan-2-yl)-2-propan-2-yloxyethanol
CID 79567883

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)propane-1,3-diol?
The IUPAC name of 1-(oxolan-2-yl)propane-1,3-diol (CID 119055061) is 1-(oxolan-2-yl)propane-1,3-diol.
What is the SMILES notation for 1-(oxolan-2-yl)propane-1,3-diol?
The canonical SMILES for 1-(oxolan-2-yl)propane-1,3-diol is OCCC(O)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)propane-1,3-diol?
The InChIKey is SLRIAGYRTWZYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c8-4-3-6(9)7-2-1-5-10-7/h6-9H,1-5H2.
What are the key properties of 1-(oxolan-2-yl)propane-1,3-diol?
1-(oxolan-2-yl)propane-1,3-diol has a molecular weight of 146.19 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)propane-1,3-diol is sourced from PubChem (CID 119055061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).