3-hydroxypropyl propyl carbonate

C7H14O4 — CID 91514024

IUPAC3-hydroxypropyl propyl carbonate
SMILESCCCOC(=O)OCCCO
InChIInChI=1S/C7H14O4/c1-2-5-10-7(9)11-6-3-4-8/h8H,2-6H2,1H3
InChIKeyHIYYAAORCBNNPT-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.93
Rot. Bonds5

About 3-hydroxypropyl propyl carbonate

3-hydroxypropyl propyl carbonate (PubChem CID 91514024) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-hydroxypropyl propyl carbonate.

Molecular Properties

Compound Name3-hydroxypropyl propyl carbonate
PubChem CID91514024
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Name3-hydroxypropyl propyl carbonate
SMILESCCCOC(=O)OCCCO
InChIInChI=1S/C7H14O4/c1-2-5-10-7(9)11-6-3-4-8/h8H,2-6H2,1H3
InChIKeyHIYYAAORCBNNPT-UHFFFAOYSA-N
XLogP0.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.93
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 propyl carbonate?
The IUPAC name of 3-hydroxypropyl propyl carbonate (CID 91514024) is 3-hydroxypropyl propyl carbonate.
What is the SMILES notation for 3-hydroxypropyl propyl carbonate?
The canonical SMILES for 3-hydroxypropyl propyl carbonate is CCCOC(=O)OCCCO.
What is the InChIKey of 3-hydroxypropyl propyl carbonate?
The InChIKey is HIYYAAORCBNNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4/c1-2-5-10-7(9)11-6-3-4-8/h8H,2-6H2,1H3.
What are the key properties of 3-hydroxypropyl propyl carbonate?
3-hydroxypropyl propyl carbonate has a molecular weight of 162.19 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl propyl carbonate is sourced from PubChem (CID 91514024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).