(Z)-11-(oxan-2-yloxy)undec-4-enal

C16H28O3 — CID 14057669

IUPAC(Z)-11-(oxan-2-yloxy)undec-4-enal
SMILESO=CCC/C=C\CCCCCCOC1CCCCO1
InChIInChI=1S/C16H28O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h2,4,13,16H,1,3,5-12,14-15H2/b4-2-
InChIKeyFWOZBEHXNXWGAQ-RQOWECAXSA-N
MW268.40 g/mol
LogP4.02
Rot. Bonds11

About (Z)-11-(oxan-2-yloxy)undec-4-enal

(Z)-11-(oxan-2-yloxy)undec-4-enal (PubChem CID 14057669) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is (Z)-11-(oxan-2-yloxy)undec-4-enal.

Molecular Properties

Compound Name(Z)-11-(oxan-2-yloxy)undec-4-enal
PubChem CID14057669
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name(Z)-11-(oxan-2-yloxy)undec-4-enal
SMILESO=CCC/C=C\CCCCCCOC1CCCCO1
InChIInChI=1S/C16H28O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h2,4,13,16H,1,3,5-12,14-15H2/b4-2-
InChIKeyFWOZBEHXNXWGAQ-RQOWECAXSA-N
XLogP4.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2H-Pyran, 2-[(7E)-7-dodecen-1-yloxy]tetrahydro-
CID 6437394
(2e)-11-(Tetrahydropyran-2-yloxy)-2-undecenal
CID 10978478
(e)-12-[(Tetrahydro-2h-pyran-2-yl)oxy]-2-dodecenal
CID 13456332
(e)-9-Tetrahydropyranyloxy-2-nonenal
CID 12963309
2-[(7Z,11Z)-hexadeca-7,11-dienoxy]oxane
CID 12643188
(Z)-2-(Tetradec-7-en-1-yloxy)tetrahydro-2H-pyran
CID 13845562
2-[(E)-dec-7-enoxy]oxane
CID 15881944
Tetrahydropyran Z-10-dodecenoate
CID 5367971
(E)-13-(oxan-2-yloxy)tridec-3-enal
CID 11437929
9-(Oxan-2-yloxy)non-2-enal
CID 54087230
(Z)-10-(1,3-dioxan-2-yl)dec-4-enal
CID 90384045
2-[(7Z,10Z,13Z,16Z,19Z,22Z)-pentacosa-7,10,13,16,19,22-hexaenoxy]oxane
CID 168849734

Frequently Asked Questions

What is the IUPAC name of (Z)-11-(oxan-2-yloxy)undec-4-enal?
The IUPAC name of (Z)-11-(oxan-2-yloxy)undec-4-enal (CID 14057669) is (Z)-11-(oxan-2-yloxy)undec-4-enal.
What is the SMILES notation for (Z)-11-(oxan-2-yloxy)undec-4-enal?
The canonical SMILES for (Z)-11-(oxan-2-yloxy)undec-4-enal is O=CCC/C=C\CCCCCCOC1CCCCO1.
What is the InChIKey of (Z)-11-(oxan-2-yloxy)undec-4-enal?
The InChIKey is FWOZBEHXNXWGAQ-RQOWECAXSA-N. The full InChI is InChI=1S/C16H28O3/c17-13-9-6-4-2-1-3-5-7-10-14-18-16-12-8-11-15-19-16/h2,4,13,16H,1,3,5-12,14-15H2/b4-2-.
What are the key properties of (Z)-11-(oxan-2-yloxy)undec-4-enal?
(Z)-11-(oxan-2-yloxy)undec-4-enal has a molecular weight of 268.40 g/mol, XLogP of 4.02, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-11-(oxan-2-yloxy)undec-4-enal is sourced from PubChem (CID 14057669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).