5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol

C7H14O3 — CID 89394802

IUPAC5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
SMILESCC1OC(CO)CC1(C)O
InChIInChI=1S/C7H14O3/c1-5-7(2,9)3-6(4-8)10-5/h5-6,8-9H,3-4H2,1-2H3
InChIKeyHBTIXYQPHPEDPD-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.09
Rot. Bonds1

About 5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol

5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol (PubChem CID 89394802) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
PubChem CID89394802
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol
SMILESCC1OC(CO)CC1(C)O
InChIInChI=1S/C7H14O3/c1-5-7(2,9)3-6(4-8)10-5/h5-6,8-9H,3-4H2,1-2H3
InChIKeyHBTIXYQPHPEDPD-UHFFFAOYSA-N
XLogP-0.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol?
The IUPAC name of 5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol (CID 89394802) is 5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol?
The canonical SMILES for 5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol is CC1OC(CO)CC1(C)O.
What is the InChIKey of 5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol?
The InChIKey is HBTIXYQPHPEDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3/c1-5-7(2,9)3-6(4-8)10-5/h5-6,8-9H,3-4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol?
5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol has a molecular weight of 146.19 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,3-dimethyloxolan-3-ol is sourced from PubChem (CID 89394802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).