3-hydroxypropyl methyl carbonate

C5H10O4 — CID 14936932

IUPAC3-hydroxypropyl methyl carbonate
SMILESCOC(=O)OCCCO
InChIInChI=1S/C5H10O4/c1-8-5(7)9-4-2-3-6/h6H,2-4H2,1H3
InChIKeyROEGPEFCFBNLIS-UHFFFAOYSA-N
MW134.13 g/mol
LogP0.15
Rot. Bonds3

About 3-hydroxypropyl methyl carbonate

3-hydroxypropyl methyl carbonate (PubChem CID 14936932) has the molecular formula C5H10O4 and a molecular weight of 134.13 g/mol. Its IUPAC name is 3-hydroxypropyl methyl carbonate.

Molecular Properties

Compound Name3-hydroxypropyl methyl carbonate
PubChem CID14936932
Molecular FormulaC5H10O4
Molecular Weight134.13 g/mol
Exact Mass134.06
IUPAC Name3-hydroxypropyl methyl carbonate
SMILESCOC(=O)OCCCO
InChIInChI=1S/C5H10O4/c1-8-5(7)9-4-2-3-6/h6H,2-4H2,1H3
InChIKeyROEGPEFCFBNLIS-UHFFFAOYSA-N
XLogP0.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl methyl carbonate?
The IUPAC name of 3-hydroxypropyl methyl carbonate (CID 14936932) is 3-hydroxypropyl methyl carbonate.
What is the SMILES notation for 3-hydroxypropyl methyl carbonate?
The canonical SMILES for 3-hydroxypropyl methyl carbonate is COC(=O)OCCCO.
What is the InChIKey of 3-hydroxypropyl methyl carbonate?
The InChIKey is ROEGPEFCFBNLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O4/c1-8-5(7)9-4-2-3-6/h6H,2-4H2,1H3.
What are the key properties of 3-hydroxypropyl methyl carbonate?
3-hydroxypropyl methyl carbonate has a molecular weight of 134.13 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl methyl carbonate is sourced from PubChem (CID 14936932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).