(E)-4-hydroxypentadec-2-enal

C15H28O2 — CID 6366683

IUPAC(E)-4-hydroxypentadec-2-enal
SMILESCCCCCCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16/h11,13-15,17H,2-10,12H2,1H3/b13-11+
InChIKeyVXUGVOLNFXPTNN-ACCUITESSA-N
MW240.39 g/mol
LogP4.02
Rot. Bonds12

About (E)-4-hydroxypentadec-2-enal

(E)-4-hydroxypentadec-2-enal (PubChem CID 6366683) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (E)-4-hydroxypentadec-2-enal.

Molecular Properties

Compound Name(E)-4-hydroxypentadec-2-enal
PubChem CID6366683
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(E)-4-hydroxypentadec-2-enal
SMILESCCCCCCCCCCCC(O)/C=C/C=O
InChIInChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16/h11,13-15,17H,2-10,12H2,1H3/b13-11+
InChIKeyVXUGVOLNFXPTNN-ACCUITESSA-N
XLogP4.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxypentadec-2-enal?
The IUPAC name of (E)-4-hydroxypentadec-2-enal (CID 6366683) is (E)-4-hydroxypentadec-2-enal.
What is the SMILES notation for (E)-4-hydroxypentadec-2-enal?
The canonical SMILES for (E)-4-hydroxypentadec-2-enal is CCCCCCCCCCCC(O)/C=C/C=O.
What is the InChIKey of (E)-4-hydroxypentadec-2-enal?
The InChIKey is VXUGVOLNFXPTNN-ACCUITESSA-N. The full InChI is InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16/h11,13-15,17H,2-10,12H2,1H3/b13-11+.
What are the key properties of (E)-4-hydroxypentadec-2-enal?
(E)-4-hydroxypentadec-2-enal has a molecular weight of 240.39 g/mol, XLogP of 4.02, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxypentadec-2-enal is sourced from PubChem (CID 6366683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).