(E)-1-hydroxynonadec-2-en-4-one

C19H36O2 — CID 6366716

IUPAC(E)-1-hydroxynonadec-2-en-4-one
SMILESCCCCCCCCCCCCCCCC(=O)/C=C/CO
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20/h15,17,20H,2-14,16,18H2,1H3/b17-15+
InChIKeyZLVLVKACKHMUEZ-BMRADRMJSA-N
MW296.49 g/mol
LogP5.59
Rot. Bonds16

About (E)-1-hydroxynonadec-2-en-4-one

(E)-1-hydroxynonadec-2-en-4-one (PubChem CID 6366716) has the molecular formula C19H36O2 and a molecular weight of 296.49 g/mol. Its IUPAC name is (E)-1-hydroxynonadec-2-en-4-one.

Molecular Properties

Compound Name(E)-1-hydroxynonadec-2-en-4-one
PubChem CID6366716
Molecular FormulaC19H36O2
Molecular Weight296.49 g/mol
Exact Mass296.27
IUPAC Name(E)-1-hydroxynonadec-2-en-4-one
SMILESCCCCCCCCCCCCCCCC(=O)/C=C/CO
InChIInChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20/h15,17,20H,2-14,16,18H2,1H3/b17-15+
InChIKeyZLVLVKACKHMUEZ-BMRADRMJSA-N
XLogP5.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.49
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
(7E,9E)-henicosa-7,9-diene-6,11-dione
CID 56936226
5-oxododec-3-enal
CID 175040606
(E)-6-oxopentadec-4-enal
CID 10988341
tridec-2-en-4-one
CID 3025768
(E)-undec-2-en-4-one
CID 11550066
undec-2-en-4-one
CID 54475106
(E)-1-bromonon-1-en-3-one
CID 10987757
(E)-1-chloronon-1-en-3-one
CID 12585287

Frequently Asked Questions

What is the IUPAC name of (E)-1-hydroxynonadec-2-en-4-one?
The IUPAC name of (E)-1-hydroxynonadec-2-en-4-one (CID 6366716) is (E)-1-hydroxynonadec-2-en-4-one.
What is the SMILES notation for (E)-1-hydroxynonadec-2-en-4-one?
The canonical SMILES for (E)-1-hydroxynonadec-2-en-4-one is CCCCCCCCCCCCCCCC(=O)/C=C/CO.
What is the InChIKey of (E)-1-hydroxynonadec-2-en-4-one?
The InChIKey is ZLVLVKACKHMUEZ-BMRADRMJSA-N. The full InChI is InChI=1S/C19H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20/h15,17,20H,2-14,16,18H2,1H3/b17-15+.
What are the key properties of (E)-1-hydroxynonadec-2-en-4-one?
(E)-1-hydroxynonadec-2-en-4-one has a molecular weight of 296.49 g/mol, XLogP of 5.59, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-hydroxynonadec-2-en-4-one is sourced from PubChem (CID 6366716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).