(E)-6-oxopentadec-4-enal

C15H26O2 — CID 10988341

IUPAC(E)-6-oxopentadec-4-enal
SMILESCCCCCCCCCC(=O)/C=C/CCC=O
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16/h10,13-14H,2-9,11-12H2,1H3/b13-10+
InChIKeyPUZKGEDNHWMMOS-JLHYYAGUSA-N
MW238.37 g/mol
LogP4.23
Rot. Bonds12

About (E)-6-oxopentadec-4-enal

(E)-6-oxopentadec-4-enal (PubChem CID 10988341) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (E)-6-oxopentadec-4-enal.

Molecular Properties

Compound Name(E)-6-oxopentadec-4-enal
PubChem CID10988341
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(E)-6-oxopentadec-4-enal
SMILESCCCCCCCCCC(=O)/C=C/CCC=O
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16/h10,13-14H,2-9,11-12H2,1H3/b13-10+
InChIKeyPUZKGEDNHWMMOS-JLHYYAGUSA-N
XLogP4.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.23
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

(E)-henicos-9-en-11-one
CID 6366356
(Z)-hexadec-9-en-8-one
CID 134907163
henicos-9-en-11-one
CID 3023243
(E)-icos-11-en-10-one
CID 101359358
5-oxododec-3-enal
CID 175040606
4-oxohenicosa-5,12,15-trienal
CID 91135390
(E)-1-hydroxynonadec-2-en-4-one
CID 6366716
(E)-1-bromonon-1-en-3-one
CID 10987757
methyl (E)-9-oxooctadec-10-enoate
CID 13173899
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
nonadeca-2,12-dien-4-one
CID 151605854
(E)-1-bromooct-1-en-3-one
CID 11790338

Frequently Asked Questions

What is the IUPAC name of (E)-6-oxopentadec-4-enal?
The IUPAC name of (E)-6-oxopentadec-4-enal (CID 10988341) is (E)-6-oxopentadec-4-enal.
What is the SMILES notation for (E)-6-oxopentadec-4-enal?
The canonical SMILES for (E)-6-oxopentadec-4-enal is CCCCCCCCCC(=O)/C=C/CCC=O.
What is the InChIKey of (E)-6-oxopentadec-4-enal?
The InChIKey is PUZKGEDNHWMMOS-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-6-7-9-12-15(17)13-10-8-11-14-16/h10,13-14H,2-9,11-12H2,1H3/b13-10+.
What are the key properties of (E)-6-oxopentadec-4-enal?
(E)-6-oxopentadec-4-enal has a molecular weight of 238.37 g/mol, XLogP of 4.23, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-oxopentadec-4-enal is sourced from PubChem (CID 10988341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).