(2S)-2-prop-2-enoxypent-4-enal

C8H12O2 — CID 131095283

IUPAC(2S)-2-prop-2-enoxypent-4-enal
SMILESC=CCO[C@H](C=O)CC=C
InChIInChI=1S/C8H12O2/c1-3-5-8(7-9)10-6-4-2/h3-4,7-8H,1-2,5-6H2/t8-/m0/s1
InChIKeyBIDFJZRUAJUTSX-QMMMGPOBSA-N
MW140.18 g/mol
LogP1.33
Rot. Bonds6

About (2S)-2-prop-2-enoxypent-4-enal

(2S)-2-prop-2-enoxypent-4-enal (PubChem CID 131095283) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (2S)-2-prop-2-enoxypent-4-enal.

Molecular Properties

Compound Name(2S)-2-prop-2-enoxypent-4-enal
PubChem CID131095283
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(2S)-2-prop-2-enoxypent-4-enal
SMILESC=CCO[C@H](C=O)CC=C
InChIInChI=1S/C8H12O2/c1-3-5-8(7-9)10-6-4-2/h3-4,7-8H,1-2,5-6H2/t8-/m0/s1
InChIKeyBIDFJZRUAJUTSX-QMMMGPOBSA-N
XLogP1.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.33
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'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-prop-2-enoxypent-4-enal?
The IUPAC name of (2S)-2-prop-2-enoxypent-4-enal (CID 131095283) is (2S)-2-prop-2-enoxypent-4-enal.
What is the SMILES notation for (2S)-2-prop-2-enoxypent-4-enal?
The canonical SMILES for (2S)-2-prop-2-enoxypent-4-enal is C=CCO[C@H](C=O)CC=C.
What is the InChIKey of (2S)-2-prop-2-enoxypent-4-enal?
The InChIKey is BIDFJZRUAJUTSX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H12O2/c1-3-5-8(7-9)10-6-4-2/h3-4,7-8H,1-2,5-6H2/t8-/m0/s1.
What are the key properties of (2S)-2-prop-2-enoxypent-4-enal?
(2S)-2-prop-2-enoxypent-4-enal has a molecular weight of 140.18 g/mol, XLogP of 1.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-prop-2-enoxypent-4-enal is sourced from PubChem (CID 131095283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).