(Z,2R)-2-prop-2-ynoxypent-3-enal

C8H10O2 — CID 88639399

IUPAC(Z,2R)-2-prop-2-ynoxypent-3-enal
SMILESC#CCO[C@@H](C=O)/C=C\C
InChIInChI=1S/C8H10O2/c1-3-5-8(7-9)10-6-4-2/h2-3,5,7-8H,6H2,1H3/b5-3-/t8-/m1/s1
InChIKeyDILWQAJSDRIQPI-QIUOEGRZSA-N
MW138.17 g/mol
LogP0.78
Rot. Bonds4

About (Z,2R)-2-prop-2-ynoxypent-3-enal

(Z,2R)-2-prop-2-ynoxypent-3-enal (PubChem CID 88639399) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is (Z,2R)-2-prop-2-ynoxypent-3-enal.

Molecular Properties

Compound Name(Z,2R)-2-prop-2-ynoxypent-3-enal
PubChem CID88639399
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name(Z,2R)-2-prop-2-ynoxypent-3-enal
SMILESC#CCO[C@@H](C=O)/C=C\C
InChIInChI=1S/C8H10O2/c1-3-5-8(7-9)10-6-4-2/h2-3,5,7-8H,6H2,1H3/b5-3-/t8-/m1/s1
InChIKeyDILWQAJSDRIQPI-QIUOEGRZSA-N
XLogP0.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-prop-2-ynoxypent-3-enal?
The IUPAC name of (Z,2R)-2-prop-2-ynoxypent-3-enal (CID 88639399) is (Z,2R)-2-prop-2-ynoxypent-3-enal.
What is the SMILES notation for (Z,2R)-2-prop-2-ynoxypent-3-enal?
The canonical SMILES for (Z,2R)-2-prop-2-ynoxypent-3-enal is C#CCO[C@@H](C=O)/C=C\C.
What is the InChIKey of (Z,2R)-2-prop-2-ynoxypent-3-enal?
The InChIKey is DILWQAJSDRIQPI-QIUOEGRZSA-N. The full InChI is InChI=1S/C8H10O2/c1-3-5-8(7-9)10-6-4-2/h2-3,5,7-8H,6H2,1H3/b5-3-/t8-/m1/s1.
What are the key properties of (Z,2R)-2-prop-2-ynoxypent-3-enal?
(Z,2R)-2-prop-2-ynoxypent-3-enal has a molecular weight of 138.17 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-prop-2-ynoxypent-3-enal is sourced from PubChem (CID 88639399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).