2-(2-hydroxypentoxymethoxy)butane-2,3-diol

C10H22O5 — CID 22085877

IUPAC2-(2-hydroxypentoxymethoxy)butane-2,3-diol
SMILESCCCC(O)COCOC(C)(O)C(C)O
InChIInChI=1S/C10H22O5/c1-4-5-9(12)6-14-7-15-10(3,13)8(2)11/h8-9,11-13H,4-7H2,1-3H3
InChIKeyKIZWUMBBYPHTPK-UHFFFAOYSA-N
MW222.28 g/mol
LogP0.23
Rot. Bonds8

About 2-(2-hydroxypentoxymethoxy)butane-2,3-diol

2-(2-hydroxypentoxymethoxy)butane-2,3-diol (PubChem CID 22085877) has the molecular formula C10H22O5 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(2-hydroxypentoxymethoxy)butane-2,3-diol.

Molecular Properties

Compound Name2-(2-hydroxypentoxymethoxy)butane-2,3-diol
PubChem CID22085877
Molecular FormulaC10H22O5
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name2-(2-hydroxypentoxymethoxy)butane-2,3-diol
SMILESCCCC(O)COCOC(C)(O)C(C)O
InChIInChI=1S/C10H22O5/c1-4-5-9(12)6-14-7-15-10(3,13)8(2)11/h8-9,11-13H,4-7H2,1-3H3
InChIKeyKIZWUMBBYPHTPK-UHFFFAOYSA-N
XLogP0.23
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(2-hydroxypentoxymethoxy)butane-2,3-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

Tripropylene glycol n-butyl ether
CID 60196418
(1r)-1-{[(2s)-3-Hydroxy-2-{[(1r)-1-Hydroxypentyl]oxy}propyl]oxy}hexan-1-Ol
CID 137348091
(2S)-1-(methoxymethoxy)hept-5-yn-2-ol
CID 138970081
3,3-Dimethoxypentan-2-ol
CID 13129036
(5-Ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanol
CID 13801149
Ethoxy-ethyl glycerol
CID 21683155
3-(1-Hydroxyhexoxy)propane-1,2-diol
CID 53706722
2-Butoxy-1-methoxypentane-2,4-diol
CID 56987322
1,1-Diethoxybutane-2,3-diol
CID 71355647
Butanediol diglyceryl ether
CID 87231822
3-(2-Methoxyethoxymethoxy)-2-methylpentan-1-ol
CID 547959
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-ol
CID 13822079

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxypentoxymethoxy)butane-2,3-diol?
The IUPAC name of 2-(2-hydroxypentoxymethoxy)butane-2,3-diol (CID 22085877) is 2-(2-hydroxypentoxymethoxy)butane-2,3-diol.
What is the SMILES notation for 2-(2-hydroxypentoxymethoxy)butane-2,3-diol?
The canonical SMILES for 2-(2-hydroxypentoxymethoxy)butane-2,3-diol is CCCC(O)COCOC(C)(O)C(C)O.
What is the InChIKey of 2-(2-hydroxypentoxymethoxy)butane-2,3-diol?
The InChIKey is KIZWUMBBYPHTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O5/c1-4-5-9(12)6-14-7-15-10(3,13)8(2)11/h8-9,11-13H,4-7H2,1-3H3.
What are the key properties of 2-(2-hydroxypentoxymethoxy)butane-2,3-diol?
2-(2-hydroxypentoxymethoxy)butane-2,3-diol has a molecular weight of 222.28 g/mol, XLogP of 0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxypentoxymethoxy)butane-2,3-diol is sourced from PubChem (CID 22085877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).