[2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate

C8H16O6 — CID 165092067

IUPAC[2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate
SMILESCC(O)COCOCC(O)COC=O
InChIInChI=1S/C8H16O6/c1-7(10)2-13-6-14-4-8(11)3-12-5-9/h5,7-8,10-11H,2-4,6H2,1H3
InChIKeyJOWAQKRBYUCOHO-UHFFFAOYSA-N
MW208.21 g/mol
LogP-1.11
Rot. Bonds9

About [2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate

[2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate (PubChem CID 165092067) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is [2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate.

Molecular Properties

Compound Name[2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate
PubChem CID165092067
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name[2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate
SMILESCC(O)COCOCC(O)COC=O
InChIInChI=1S/C8H16O6/c1-7(10)2-13-6-14-4-8(11)3-12-5-9/h5,7-8,10-11H,2-4,6H2,1H3
InChIKeyJOWAQKRBYUCOHO-UHFFFAOYSA-N
XLogP-1.11
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate 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

(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
[(2R)-2-hydroxy-3-phosphonooxypropyl] formate
CID 25163997
1-[2-(hydroxymethoxy)ethoxymethoxy]-3-methoxypropan-2-ol;oxaldehyde
CID 123589036
[2-hydroxy-3-(1-methyl-4-propan-2-ylcyclohexyl)oxypropyl] formate
CID 154200949
1-(butoxymethoxy)propan-2-ol
CID 131855718
2-iodopropyl formate
CID 87289117
2,3-dihydroxypropyl formate;tetracyclo[2.1.0.01,3.02,5]pentane
CID 174638545
3-(2,3-dihydroxypropoxymethoxy)propane-1,2-diol
CID 59854090
1-[[2-hydroxy-3-[6-(2-hydroxypropoxy)hexoxy]propyl]amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol
CID 89205374
acetaldehyde;2-formamidoethyl acetate;2-hydroxypropyl formate
CID 163370428
1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol
CID 54245312
propanoic acid;1-propoxypropan-2-ol
CID 87505048

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate?
The IUPAC name of [2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate (CID 165092067) is [2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate.
What is the SMILES notation for [2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate?
The canonical SMILES for [2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate is CC(O)COCOCC(O)COC=O.
What is the InChIKey of [2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate?
The InChIKey is JOWAQKRBYUCOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O6/c1-7(10)2-13-6-14-4-8(11)3-12-5-9/h5,7-8,10-11H,2-4,6H2,1H3.
What are the key properties of [2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate?
[2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate has a molecular weight of 208.21 g/mol, XLogP of -1.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate is sourced from PubChem (CID 165092067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).