(Z)-pentadec-6-enal

C15H28O — CID 10489351

IUPAC(Z)-pentadec-6-enal
SMILESCCCCCCCC/C=C\CCCCC=O
InChIInChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h9-10,15H,2-8,11-14H2,1H3/b10-9-
InChIKeyLUJILXDCSMWGOX-KTKRTIGZSA-N
MW224.39 g/mol
LogP5.05
Rot. Bonds12

About (Z)-pentadec-6-enal

(Z)-pentadec-6-enal (PubChem CID 10489351) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is (Z)-pentadec-6-enal.

Molecular Properties

Compound Name(Z)-pentadec-6-enal
PubChem CID10489351
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name(Z)-pentadec-6-enal
SMILESCCCCCCCC/C=C\CCCCC=O
InChIInChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h9-10,15H,2-8,11-14H2,1H3/b10-9-
InChIKeyLUJILXDCSMWGOX-KTKRTIGZSA-N
XLogP5.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.39
LogP ≤ 55.05
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'}

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Related Compounds

(E)-tetradec-7-enal
CID 5283367
tetracos-11-enal
CID 173212441
(E)-hexacos-17-enal
CID 20847611
(Z)-tetradec-8-enal
CID 6430188
(E)-heptadec-6-enal
CID 122214705
(E)-octacos-19-enal
CID 25245229
(E)-octadec-8-enal
CID 5365013
(6E,12E)-octadeca-6,12-dienal
CID 10220937
(E)-octadec-13-enal
CID 5367670
(15Z,18Z)-tetracosa-15,18-dienal
CID 139535965
hexadeca-7,11-dienal
CID 543335
decanal;decane
CID 157361056

Frequently Asked Questions

What is the IUPAC name of (Z)-pentadec-6-enal?
The IUPAC name of (Z)-pentadec-6-enal (CID 10489351) is (Z)-pentadec-6-enal.
What is the SMILES notation for (Z)-pentadec-6-enal?
The canonical SMILES for (Z)-pentadec-6-enal is CCCCCCCC/C=C\CCCCC=O.
What is the InChIKey of (Z)-pentadec-6-enal?
The InChIKey is LUJILXDCSMWGOX-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h9-10,15H,2-8,11-14H2,1H3/b10-9-.
What are the key properties of (Z)-pentadec-6-enal?
(Z)-pentadec-6-enal has a molecular weight of 224.39 g/mol, XLogP of 5.05, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-pentadec-6-enal is sourced from PubChem (CID 10489351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).