bis(prop-2-enyl) carbonate;hydrochloride

C7H11ClO3 — CID 87999118

IUPACbis(prop-2-enyl) carbonate;hydrochloride
SMILESC=CCOC(=O)OCC=C.Cl
InChIInChI=1S/C7H10O3.ClH/c1-3-5-9-7(8)10-6-4-2;/h3-4H,1-2,5-6H2;1H
InChIKeyWWMQNPKYHRIXAE-UHFFFAOYSA-N
MW178.61 g/mol
LogP1.93
Rot. Bonds4

About bis(prop-2-enyl) carbonate;hydrochloride

bis(prop-2-enyl) carbonate;hydrochloride (PubChem CID 87999118) has the molecular formula C7H11ClO3 and a molecular weight of 178.61 g/mol. Its IUPAC name is bis(prop-2-enyl) carbonate;hydrochloride.

Molecular Properties

Compound Namebis(prop-2-enyl) carbonate;hydrochloride
PubChem CID87999118
Molecular FormulaC7H11ClO3
Molecular Weight178.61 g/mol
Exact Mass178.04
IUPAC Namebis(prop-2-enyl) carbonate;hydrochloride
SMILESC=CCOC(=O)OCC=C.Cl
InChIInChI=1S/C7H10O3.ClH/c1-3-5-9-7(8)10-6-4-2;/h3-4H,1-2,5-6H2;1H
InChIKeyWWMQNPKYHRIXAE-UHFFFAOYSA-N
XLogP1.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.61
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(prop-2-enyl) carbonate;hydrochloride?
The IUPAC name of bis(prop-2-enyl) carbonate;hydrochloride (CID 87999118) is bis(prop-2-enyl) carbonate;hydrochloride.
What is the SMILES notation for bis(prop-2-enyl) carbonate;hydrochloride?
The canonical SMILES for bis(prop-2-enyl) carbonate;hydrochloride is C=CCOC(=O)OCC=C.Cl.
What is the InChIKey of bis(prop-2-enyl) carbonate;hydrochloride?
The InChIKey is WWMQNPKYHRIXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.ClH/c1-3-5-9-7(8)10-6-4-2;/h3-4H,1-2,5-6H2;1H.
What are the key properties of bis(prop-2-enyl) carbonate;hydrochloride?
bis(prop-2-enyl) carbonate;hydrochloride has a molecular weight of 178.61 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(prop-2-enyl) carbonate;hydrochloride is sourced from PubChem (CID 87999118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).