[(Z)-pent-2-en-3-yl] prop-2-enyl carbonate

C9H14O3 — CID 135083674

IUPAC[(Z)-pent-2-en-3-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C(=C\C)CC
InChIInChI=1S/C9H14O3/c1-4-7-11-9(10)12-8(5-2)6-3/h4-5H,1,6-7H2,2-3H3/b8-5-
InChIKeyNRYRPOWNJWYQPY-YVMONPNESA-N
MW170.21 g/mol
LogP2.64
Rot. Bonds4

About [(Z)-pent-2-en-3-yl] prop-2-enyl carbonate

[(Z)-pent-2-en-3-yl] prop-2-enyl carbonate (PubChem CID 135083674) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is [(Z)-pent-2-en-3-yl] prop-2-enyl carbonate.

Molecular Properties

Compound Name[(Z)-pent-2-en-3-yl] prop-2-enyl carbonate
PubChem CID135083674
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name[(Z)-pent-2-en-3-yl] prop-2-enyl carbonate
SMILESC=CCOC(=O)O/C(=C\C)CC
InChIInChI=1S/C9H14O3/c1-4-7-11-9(10)12-8(5-2)6-3/h4-5H,1,6-7H2,2-3H3/b8-5-
InChIKeyNRYRPOWNJWYQPY-YVMONPNESA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-pent-2-en-3-yl] prop-2-enyl carbonate?
The IUPAC name of [(Z)-pent-2-en-3-yl] prop-2-enyl carbonate (CID 135083674) is [(Z)-pent-2-en-3-yl] prop-2-enyl carbonate.
What is the SMILES notation for [(Z)-pent-2-en-3-yl] prop-2-enyl carbonate?
The canonical SMILES for [(Z)-pent-2-en-3-yl] prop-2-enyl carbonate is C=CCOC(=O)O/C(=C\C)CC.
What is the InChIKey of [(Z)-pent-2-en-3-yl] prop-2-enyl carbonate?
The InChIKey is NRYRPOWNJWYQPY-YVMONPNESA-N. The full InChI is InChI=1S/C9H14O3/c1-4-7-11-9(10)12-8(5-2)6-3/h4-5H,1,6-7H2,2-3H3/b8-5-.
What are the key properties of [(Z)-pent-2-en-3-yl] prop-2-enyl carbonate?
[(Z)-pent-2-en-3-yl] prop-2-enyl carbonate has a molecular weight of 170.21 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-pent-2-en-3-yl] prop-2-enyl carbonate is sourced from PubChem (CID 135083674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).