2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol

C9H20O5 — CID 171403130

IUPAC2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol
SMILESCOCC(O)COC(CO)CCCO
InChIInChI=1S/C9H20O5/c1-13-6-8(12)7-14-9(5-11)3-2-4-10/h8-12H,2-7H2,1H3
InChIKeyKAINUSXBLUDTTC-UHFFFAOYSA-N
MW208.25 g/mol
LogP-0.86
Rot. Bonds9

About 2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol

2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol (PubChem CID 171403130) has the molecular formula C9H20O5 and a molecular weight of 208.25 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol
PubChem CID171403130
Molecular FormulaC9H20O5
Molecular Weight208.25 g/mol
Exact Mass208.13
IUPAC Name2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol
SMILESCOCC(O)COC(CO)CCCO
InChIInChI=1S/C9H20O5/c1-13-6-8(12)7-14-9(5-11)3-2-4-10/h8-12H,2-7H2,1H3
InChIKeyKAINUSXBLUDTTC-UHFFFAOYSA-N
XLogP-0.86
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-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

1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol
CID 71445138
2-[2-hydroxy-3-(1-hydroxydodecan-2-yloxy)propoxy]dodecan-1-ol
CID 10411951
ethanol;2-(2-hydroxypropoxy)pentane-1,5-diol
CID 87266481
2-[2-hydroxy-3-(1-hydroxyhexadecan-2-yloxy)propoxy]hexadecan-1-ol
CID 10415697
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
3-[1-[3-[1-[3-(2-hydroxy-3-methoxypropoxy)-2-(3-hydroxy-2-methoxypropoxy)propoxy]propan-2-yloxy]-2-[3-(2-hydroxypropoxy)-2-(3-hydroxypropoxy)propoxy]propoxy]-3-(3-hydroxypropoxy)propan-2-yl]oxypropane-1,2-diol
CID 170087283
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]heptane-1,4,7-triol
CID 91141504
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
2-(3-hydroxypropoxy)pentan-1-ol
CID 150485791
1-chloro-3-(1-chloro-3-methoxypropan-2-yl)oxypropan-2-ol
CID 71441962

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol?
The IUPAC name of 2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol (CID 171403130) is 2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol.
What is the SMILES notation for 2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol?
The canonical SMILES for 2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol is COCC(O)COC(CO)CCCO.
What is the InChIKey of 2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol?
The InChIKey is KAINUSXBLUDTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O5/c1-13-6-8(12)7-14-9(5-11)3-2-4-10/h8-12H,2-7H2,1H3.
What are the key properties of 2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol?
2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol has a molecular weight of 208.25 g/mol, XLogP of -0.86, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxypropoxy)pentane-1,5-diol is sourced from PubChem (CID 171403130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).