2-(hydroxymethyl)-6-propoxyoxane-3,4-diol

C9H18O5 — CID 154980808

IUPAC2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
SMILESCCCOC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C9H18O5/c1-2-3-13-8-4-6(11)9(12)7(5-10)14-8/h6-12H,2-5H2,1H3
InChIKeyHDEKROSELSNIHT-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.76
Rot. Bonds4

About 2-(hydroxymethyl)-6-propoxyoxane-3,4-diol

2-(hydroxymethyl)-6-propoxyoxane-3,4-diol (PubChem CID 154980808) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-propoxyoxane-3,4-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
PubChem CID154980808
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
SMILESCCCOC1CC(O)C(O)C(CO)O1
InChIInChI=1S/C9H18O5/c1-2-3-13-8-4-6(11)9(12)7(5-10)14-8/h6-12H,2-5H2,1H3
InChIKeyHDEKROSELSNIHT-UHFFFAOYSA-N
XLogP-0.76
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(hydroxymethyl)-6-propoxyoxane-3,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
6-(6-aminohexoxy)-2-(hydroxymethyl)oxane-3,4-diol
CID 123961966
(2R,3S,4R)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 146216338
(2R,3S,4R,6S)-6-[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
CID 123765086
6-[(2R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexan-2-one
CID 178052000
5-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanamide
CID 172627567
(2R,3S,4S,5S,6S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol
CID 102216909
(2R,3S,4R,6R)-2-(hydroxymethyl)-6-[2-(4-hydroxyphenyl)ethoxy]oxane-3,4-diol
CID 153273415
(2R,4R)-6-aminooxy-2-(hydroxymethyl)oxane-3,4-diol
CID 176683102

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-propoxyoxane-3,4-diol?
The IUPAC name of 2-(hydroxymethyl)-6-propoxyoxane-3,4-diol (CID 154980808) is 2-(hydroxymethyl)-6-propoxyoxane-3,4-diol.
What is the SMILES notation for 2-(hydroxymethyl)-6-propoxyoxane-3,4-diol?
The canonical SMILES for 2-(hydroxymethyl)-6-propoxyoxane-3,4-diol is CCCOC1CC(O)C(O)C(CO)O1.
What is the InChIKey of 2-(hydroxymethyl)-6-propoxyoxane-3,4-diol?
The InChIKey is HDEKROSELSNIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O5/c1-2-3-13-8-4-6(11)9(12)7(5-10)14-8/h6-12H,2-5H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-propoxyoxane-3,4-diol?
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol has a molecular weight of 206.24 g/mol, XLogP of -0.76, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-propoxyoxane-3,4-diol is sourced from PubChem (CID 154980808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).