pentadeca-2,7-dienal

C15H26O — CID 140791013

IUPACpentadeca-2,7-dienal
SMILESCCCCCCCC=CCCCC=CC=O
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h8-9,13-15H,2-7,10-12H2,1H3
InChIKeyPTSMVHSDPJYRBT-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.83
Rot. Bonds11

About pentadeca-2,7-dienal

pentadeca-2,7-dienal (PubChem CID 140791013) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is pentadeca-2,7-dienal.

Molecular Properties

Compound Namepentadeca-2,7-dienal
PubChem CID140791013
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Namepentadeca-2,7-dienal
SMILESCCCCCCCC=CCCCC=CC=O
InChIInChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h8-9,13-15H,2-7,10-12H2,1H3
InChIKeyPTSMVHSDPJYRBT-UHFFFAOYSA-N
XLogP4.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-non-2-enal
CID 160680674
(E)-non-2-enal
CID 5283335
(E)-dec-2-enal
CID 5283345
dodec-2-enal;(E)-hex-2-enal
CID 159709120
(2Z,4E)-heptadeca-2,4-dienal
CID 167495571
icosa-2,4,6-trienal
CID 54359003
(2E,4E)-dodeca-2,4-dienal
CID 5367530
(2E,13Z,24E)-hexacosa-2,13,24-trienedial
CID 24786697
(2E,10Z)-trideca-2,10-dienal
CID 129221038
(2Z)-deca-2,4-dienal
CID 87792972
(Z)-hexadec-11-enal;(2E,6Z)-nona-2,6-dienal
CID 56643590
(22E)-heptatetraconta-22,24-diene
CID 56629131

Frequently Asked Questions

What is the IUPAC name of pentadeca-2,7-dienal?
The IUPAC name of pentadeca-2,7-dienal (CID 140791013) is pentadeca-2,7-dienal.
What is the SMILES notation for pentadeca-2,7-dienal?
The canonical SMILES for pentadeca-2,7-dienal is CCCCCCCC=CCCCC=CC=O.
What is the InChIKey of pentadeca-2,7-dienal?
The InChIKey is PTSMVHSDPJYRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h8-9,13-15H,2-7,10-12H2,1H3.
What are the key properties of pentadeca-2,7-dienal?
pentadeca-2,7-dienal has a molecular weight of 222.37 g/mol, XLogP of 4.83, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-2,7-dienal is sourced from PubChem (CID 140791013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).