4-undec-1-en-2-yloxybutanal

C15H28O2 — CID 144696113

IUPAC4-undec-1-en-2-yloxybutanal
SMILESC=C(CCCCCCCCC)OCCCC=O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-12-15(2)17-14-11-10-13-16/h13H,2-12,14H2,1H3
InChIKeyIRHCCYJWTAEMAK-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.64
Rot. Bonds13

About 4-undec-1-en-2-yloxybutanal

4-undec-1-en-2-yloxybutanal (PubChem CID 144696113) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-undec-1-en-2-yloxybutanal.

Molecular Properties

Compound Name4-undec-1-en-2-yloxybutanal
PubChem CID144696113
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name4-undec-1-en-2-yloxybutanal
SMILESC=C(CCCCCCCCC)OCCCC=O
InChIInChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-12-15(2)17-14-11-10-13-16/h13H,2-12,14H2,1H3
InChIKeyIRHCCYJWTAEMAK-UHFFFAOYSA-N
XLogP4.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-oct-1-en-2-yloxydodecane
CID 58247133
2-icos-1-en-2-yloxyethanol
CID 141375140
ruthenium;tridecanal
CID 175429355
1-(5-bromopent-1-en-2-yloxy)pentadecane
CID 88529560
9-oxotetradecanal
CID 13272684
decanal;decane
CID 157361056
nonanoyl 9-oxononanoate
CID 134607254
N-ethyl-2-hept-1-en-2-yloxyethanamine
CID 90710090
5-icosoxyhex-5-en-2-one
CID 143854633
2-henicos-1-en-2-yloxyhenicos-1-ene
CID 19992658
ethyl butanoate;hexanal
CID 88606790
5-oxopentyl pentanoate
CID 172587572

Frequently Asked Questions

What is the IUPAC name of 4-undec-1-en-2-yloxybutanal?
The IUPAC name of 4-undec-1-en-2-yloxybutanal (CID 144696113) is 4-undec-1-en-2-yloxybutanal.
What is the SMILES notation for 4-undec-1-en-2-yloxybutanal?
The canonical SMILES for 4-undec-1-en-2-yloxybutanal is C=C(CCCCCCCCC)OCCCC=O.
What is the InChIKey of 4-undec-1-en-2-yloxybutanal?
The InChIKey is IRHCCYJWTAEMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-3-4-5-6-7-8-9-12-15(2)17-14-11-10-13-16/h13H,2-12,14H2,1H3.
What are the key properties of 4-undec-1-en-2-yloxybutanal?
4-undec-1-en-2-yloxybutanal has a molecular weight of 240.39 g/mol, XLogP of 4.64, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-undec-1-en-2-yloxybutanal is sourced from PubChem (CID 144696113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).