ethyl [(Z,2S)-pent-3-en-2-yl] carbonate

C8H14O3 — CID 11116319

IUPACethyl [(Z,2S)-pent-3-en-2-yl] carbonate
SMILESC/C=C\[C@H](C)OC(=O)OCC
InChIInChI=1S/C8H14O3/c1-4-6-7(3)11-8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4-/t7-/m0/s1
InChIKeyBZZCHILZVZAOAZ-NGAMADIESA-N
MW158.20 g/mol
LogP2.12
Rot. Bonds3

About ethyl [(Z,2S)-pent-3-en-2-yl] carbonate

ethyl [(Z,2S)-pent-3-en-2-yl] carbonate (PubChem CID 11116319) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl [(Z,2S)-pent-3-en-2-yl] carbonate.

Molecular Properties

Compound Nameethyl [(Z,2S)-pent-3-en-2-yl] carbonate
PubChem CID11116319
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethyl [(Z,2S)-pent-3-en-2-yl] carbonate
SMILESC/C=C\[C@H](C)OC(=O)OCC
InChIInChI=1S/C8H14O3/c1-4-6-7(3)11-8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4-/t7-/m0/s1
InChIKeyBZZCHILZVZAOAZ-NGAMADIESA-N
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.12
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 ethyl [(Z,2S)-pent-3-en-2-yl] carbonate?
The IUPAC name of ethyl [(Z,2S)-pent-3-en-2-yl] carbonate (CID 11116319) is ethyl [(Z,2S)-pent-3-en-2-yl] carbonate.
What is the SMILES notation for ethyl [(Z,2S)-pent-3-en-2-yl] carbonate?
The canonical SMILES for ethyl [(Z,2S)-pent-3-en-2-yl] carbonate is C/C=C\[C@H](C)OC(=O)OCC.
What is the InChIKey of ethyl [(Z,2S)-pent-3-en-2-yl] carbonate?
The InChIKey is BZZCHILZVZAOAZ-NGAMADIESA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6-7(3)11-8(9)10-5-2/h4,6-7H,5H2,1-3H3/b6-4-/t7-/m0/s1.
What are the key properties of ethyl [(Z,2S)-pent-3-en-2-yl] carbonate?
ethyl [(Z,2S)-pent-3-en-2-yl] carbonate has a molecular weight of 158.20 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(Z,2S)-pent-3-en-2-yl] carbonate is sourced from PubChem (CID 11116319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).