bis[(Z)-4-hydroxybut-2-enyl] carbonate

C9H14O5 — CID 87127792

IUPACbis[(Z)-4-hydroxybut-2-enyl] carbonate
SMILESO=C(OC/C=C\CO)OC/C=C\CO
InChIInChI=1S/C9H14O5/c10-5-1-3-7-13-9(12)14-8-4-2-6-11/h1-4,10-11H,5-8H2/b3-1-,4-2-
InChIKeyDARDKBQVNKOSGN-CCAGOZQPSA-N
MW202.21 g/mol
LogP0.24
Rot. Bonds6

About bis[(Z)-4-hydroxybut-2-enyl] carbonate

bis[(Z)-4-hydroxybut-2-enyl] carbonate (PubChem CID 87127792) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is bis[(Z)-4-hydroxybut-2-enyl] carbonate.

Molecular Properties

Compound Namebis[(Z)-4-hydroxybut-2-enyl] carbonate
PubChem CID87127792
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Namebis[(Z)-4-hydroxybut-2-enyl] carbonate
SMILESO=C(OC/C=C\CO)OC/C=C\CO
InChIInChI=1S/C9H14O5/c10-5-1-3-7-13-9(12)14-8-4-2-6-11/h1-4,10-11H,5-8H2/b3-1-,4-2-
InChIKeyDARDKBQVNKOSGN-CCAGOZQPSA-N
XLogP0.24
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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[(Z)-4-hydroxybut-2-enyl] carbonate?
The IUPAC name of bis[(Z)-4-hydroxybut-2-enyl] carbonate (CID 87127792) is bis[(Z)-4-hydroxybut-2-enyl] carbonate.
What is the SMILES notation for bis[(Z)-4-hydroxybut-2-enyl] carbonate?
The canonical SMILES for bis[(Z)-4-hydroxybut-2-enyl] carbonate is O=C(OC/C=C\CO)OC/C=C\CO.
What is the InChIKey of bis[(Z)-4-hydroxybut-2-enyl] carbonate?
The InChIKey is DARDKBQVNKOSGN-CCAGOZQPSA-N. The full InChI is InChI=1S/C9H14O5/c10-5-1-3-7-13-9(12)14-8-4-2-6-11/h1-4,10-11H,5-8H2/b3-1-,4-2-.
What are the key properties of bis[(Z)-4-hydroxybut-2-enyl] carbonate?
bis[(Z)-4-hydroxybut-2-enyl] carbonate has a molecular weight of 202.21 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(Z)-4-hydroxybut-2-enyl] carbonate is sourced from PubChem (CID 87127792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).