pentanal;pent-2-enal

C10H18O2 — CID 159280720

IUPACpentanal;pent-2-enal
SMILESCCC=CC=O.CCCCC=O
InChIInChI=1S/C5H10O.C5H8O/c2*1-2-3-4-5-6/h5H,2-4H2,1H3;3-5H,2H2,1H3
InChIKeyKYWNJLYLLWQLLU-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.53
Rot. Bonds5

About pentanal;pent-2-enal

pentanal;pent-2-enal (PubChem CID 159280720) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is pentanal;pent-2-enal.

Molecular Properties

Compound Namepentanal;pent-2-enal
PubChem CID159280720
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Namepentanal;pent-2-enal
SMILESCCC=CC=O.CCCCC=O
InChIInChI=1S/C5H10O.C5H8O/c2*1-2-3-4-5-6/h5H,2-4H2,1H3;3-5H,2H2,1H3
InChIKeyKYWNJLYLLWQLLU-UHFFFAOYSA-N
XLogP2.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
CID 56643590
(E)-pent-2-enal
CID 5364752
neodymium;pentanal
CID 87838749
pentanal;stannane
CID 173131916
pentanal;silver;vanadium
CID 87225713
(7E,9E)-dodeca-7,9-dienal
CID 5368951
pentadeca-6,8,10,12-tetraenal
CID 78382191
(11E)-hexadeca-11,13-dienal
CID 173074730
(9Z,11E)-hexadeca-9,11-dienal
CID 11172431
(9Z,11E)-tetradeca-9,11-dienal
CID 10750891
(E)-octadec-13-enal
CID 5367670
(E)-hept-2-enedial
CID 5283323

Frequently Asked Questions

What is the IUPAC name of pentanal;pent-2-enal?
The IUPAC name of pentanal;pent-2-enal (CID 159280720) is pentanal;pent-2-enal.
What is the SMILES notation for pentanal;pent-2-enal?
The canonical SMILES for pentanal;pent-2-enal is CCC=CC=O.CCCCC=O.
What is the InChIKey of pentanal;pent-2-enal?
The InChIKey is KYWNJLYLLWQLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.C5H8O/c2*1-2-3-4-5-6/h5H,2-4H2,1H3;3-5H,2H2,1H3.
What are the key properties of pentanal;pent-2-enal?
pentanal;pent-2-enal has a molecular weight of 170.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentanal;pent-2-enal is sourced from PubChem (CID 159280720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).