1-hydroxyprop-2-enyl prop-2-enyl carbonate

C7H10O4 — CID 87200576

IUPAC1-hydroxyprop-2-enyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC(O)C=C
InChIInChI=1S/C7H10O4/c1-3-5-10-7(9)11-6(8)4-2/h3-4,6,8H,1-2,5H2
InChIKeyPWPLMYDKGOBPQN-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.83
Rot. Bonds4

About 1-hydroxyprop-2-enyl prop-2-enyl carbonate

1-hydroxyprop-2-enyl prop-2-enyl carbonate (PubChem CID 87200576) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 1-hydroxyprop-2-enyl prop-2-enyl carbonate.

Molecular Properties

Compound Name1-hydroxyprop-2-enyl prop-2-enyl carbonate
PubChem CID87200576
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name1-hydroxyprop-2-enyl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC(O)C=C
InChIInChI=1S/C7H10O4/c1-3-5-10-7(9)11-6(8)4-2/h3-4,6,8H,1-2,5H2
InChIKeyPWPLMYDKGOBPQN-UHFFFAOYSA-N
XLogP0.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyprop-2-enyl prop-2-enyl carbonate?
The IUPAC name of 1-hydroxyprop-2-enyl prop-2-enyl carbonate (CID 87200576) is 1-hydroxyprop-2-enyl prop-2-enyl carbonate.
What is the SMILES notation for 1-hydroxyprop-2-enyl prop-2-enyl carbonate?
The canonical SMILES for 1-hydroxyprop-2-enyl prop-2-enyl carbonate is C=CCOC(=O)OC(O)C=C.
What is the InChIKey of 1-hydroxyprop-2-enyl prop-2-enyl carbonate?
The InChIKey is PWPLMYDKGOBPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-3-5-10-7(9)11-6(8)4-2/h3-4,6,8H,1-2,5H2.
What are the key properties of 1-hydroxyprop-2-enyl prop-2-enyl carbonate?
1-hydroxyprop-2-enyl prop-2-enyl carbonate has a molecular weight of 158.15 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyprop-2-enyl prop-2-enyl carbonate is sourced from PubChem (CID 87200576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).