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

C9H14O2 — CID 11309630

IUPAC(2S)-4-methyl-2-prop-2-enoxypent-4-enal
SMILESC=CCO[C@H](C=O)CC(=C)C
InChIInChI=1S/C9H14O2/c1-4-5-11-9(7-10)6-8(2)3/h4,7,9H,1-2,5-6H2,3H3/t9-/m0/s1
InChIKeyGWDMKYTUKJTDRP-VIFPVBQESA-N
MW154.21 g/mol
LogP1.72
Rot. Bonds6

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

(2S)-4-methyl-2-prop-2-enoxypent-4-enal (PubChem CID 11309630) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (2S)-4-methyl-2-prop-2-enoxypent-4-enal.

Molecular Properties

Compound Name(2S)-4-methyl-2-prop-2-enoxypent-4-enal
PubChem CID11309630
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(2S)-4-methyl-2-prop-2-enoxypent-4-enal
SMILESC=CCO[C@H](C=O)CC(=C)C
InChIInChI=1S/C9H14O2/c1-4-5-11-9(7-10)6-8(2)3/h4,7,9H,1-2,5-6H2,3H3/t9-/m0/s1
InChIKeyGWDMKYTUKJTDRP-VIFPVBQESA-N
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.72
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)-4-methyl-2-prop-2-enoxypent-4-enal?
The IUPAC name of (2S)-4-methyl-2-prop-2-enoxypent-4-enal (CID 11309630) is (2S)-4-methyl-2-prop-2-enoxypent-4-enal.
What is the SMILES notation for (2S)-4-methyl-2-prop-2-enoxypent-4-enal?
The canonical SMILES for (2S)-4-methyl-2-prop-2-enoxypent-4-enal is C=CCO[C@H](C=O)CC(=C)C.
What is the InChIKey of (2S)-4-methyl-2-prop-2-enoxypent-4-enal?
The InChIKey is GWDMKYTUKJTDRP-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14O2/c1-4-5-11-9(7-10)6-8(2)3/h4,7,9H,1-2,5-6H2,3H3/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-2-prop-2-enoxypent-4-enal?
(2S)-4-methyl-2-prop-2-enoxypent-4-enal has a molecular weight of 154.21 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-prop-2-enoxypent-4-enal is sourced from PubChem (CID 11309630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).