hydroxymethoxymethoxymethyl acetate

C5H10O5 — CID 23591688

IUPAChydroxymethoxymethoxymethyl acetate
SMILESCC(=O)OCOCOCO
InChIInChI=1S/C5H10O5/c1-5(7)10-4-9-3-8-2-6/h6H,2-4H2,1H3
InChIKeyNIMBPHCARQOVNU-UHFFFAOYSA-N
MW150.13 g/mol
LogP-0.55
Rot. Bonds5

About hydroxymethoxymethoxymethyl acetate

hydroxymethoxymethoxymethyl acetate (PubChem CID 23591688) has the molecular formula C5H10O5 and a molecular weight of 150.13 g/mol. Its IUPAC name is hydroxymethoxymethoxymethyl acetate.

Molecular Properties

Compound Namehydroxymethoxymethoxymethyl acetate
PubChem CID23591688
Molecular FormulaC5H10O5
Molecular Weight150.13 g/mol
Exact Mass150.05
IUPAC Namehydroxymethoxymethoxymethyl acetate
SMILESCC(=O)OCOCOCO
InChIInChI=1S/C5H10O5/c1-5(7)10-4-9-3-8-2-6/h6H,2-4H2,1H3
InChIKeyNIMBPHCARQOVNU-UHFFFAOYSA-N
XLogP-0.55
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
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'}

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Related Compounds

bis(hydroxymethoxymethoxymethyl) propanedioate
CID 102356043
acetyloxymethyl acetate;azane
CID 172795061
acetyl acetate;acetyloxymethyl acetate;hydroxymethyl acetate
CID 158119502
acetic acid;acetyloxymethyl acetate
CID 175421869
(2-acetyloxy-1,1,2,2-tetradeuterioethoxy)methyl acetate
CID 45040162
2-(2-methoxyethoxy)ethoxymethyl acetate
CID 87088322
[3-(acetyloxymethoxy)-2,2-dimethylpropyl] acetate
CID 13356615
bis(acetyloxymethyl) propanedioate
CID 59124845
4-(acetyloxymethoxy)butanoic acid
CID 90487624
ethanol;ethyl acetate
CID 173022006
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
acetyloxymethoxymethanedithioic acid
CID 175203705

Frequently Asked Questions

What is the IUPAC name of hydroxymethoxymethoxymethyl acetate?
The IUPAC name of hydroxymethoxymethoxymethyl acetate (CID 23591688) is hydroxymethoxymethoxymethyl acetate.
What is the SMILES notation for hydroxymethoxymethoxymethyl acetate?
The canonical SMILES for hydroxymethoxymethoxymethyl acetate is CC(=O)OCOCOCO.
What is the InChIKey of hydroxymethoxymethoxymethyl acetate?
The InChIKey is NIMBPHCARQOVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5/c1-5(7)10-4-9-3-8-2-6/h6H,2-4H2,1H3.
What are the key properties of hydroxymethoxymethoxymethyl acetate?
hydroxymethoxymethoxymethyl acetate has a molecular weight of 150.13 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethoxymethoxymethyl acetate is sourced from PubChem (CID 23591688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).