4-(2-phenylmethoxyethyl)hex-5-enal

C15H20O2 — CID 139530154

IUPAC4-(2-phenylmethoxyethyl)hex-5-enal
SMILESC=CC(CCC=O)CCOCc1ccccc1
InChIInChI=1S/C15H20O2/c1-2-14(9-6-11-16)10-12-17-13-15-7-4-3-5-8-15/h2-5,7-8,11,14H,1,6,9-10,12-13H2
InChIKeyFVTDUPJNXOSVQP-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.37
Rot. Bonds9

About 4-(2-phenylmethoxyethyl)hex-5-enal

4-(2-phenylmethoxyethyl)hex-5-enal (PubChem CID 139530154) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 4-(2-phenylmethoxyethyl)hex-5-enal.

Molecular Properties

Compound Name4-(2-phenylmethoxyethyl)hex-5-enal
PubChem CID139530154
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name4-(2-phenylmethoxyethyl)hex-5-enal
SMILESC=CC(CCC=O)CCOCc1ccccc1
InChIInChI=1S/C15H20O2/c1-2-14(9-6-11-16)10-12-17-13-15-7-4-3-5-8-15/h2-5,7-8,11,14H,1,6,9-10,12-13H2
InChIKeyFVTDUPJNXOSVQP-UHFFFAOYSA-N
XLogP3.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-(2-phenylmethoxyethyl)hex-5-en-2-one
CID 134968478
(5R,6E)-5-(phenylmethoxymethyl)nona-6,8-dienal
CID 101152485
(7S)-7,10-bis(phenylmethoxy)decanal
CID 25269716
(2S)-2-(phenylmethoxymethyl)but-3-en-1-ol
CID 124630520
2-hydroxy-4-phenylmethoxybutanal
CID 130035859
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
(4R)-4-(phenylmethoxymethyl)hexanal
CID 89139563
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
(4S,5S)-4-methyl-7-phenylmethoxy-5-triethylsilyloxyheptanal
CID 11382954
[(2S)-2-ethenylhexoxy]methylbenzene
CID 50898080
3-(2-phenylmethoxyethyl)hept-6-en-2-one
CID 102459142
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylmethoxyethyl)hex-5-enal?
The IUPAC name of 4-(2-phenylmethoxyethyl)hex-5-enal (CID 139530154) is 4-(2-phenylmethoxyethyl)hex-5-enal.
What is the SMILES notation for 4-(2-phenylmethoxyethyl)hex-5-enal?
The canonical SMILES for 4-(2-phenylmethoxyethyl)hex-5-enal is C=CC(CCC=O)CCOCc1ccccc1.
What is the InChIKey of 4-(2-phenylmethoxyethyl)hex-5-enal?
The InChIKey is FVTDUPJNXOSVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-2-14(9-6-11-16)10-12-17-13-15-7-4-3-5-8-15/h2-5,7-8,11,14H,1,6,9-10,12-13H2.
What are the key properties of 4-(2-phenylmethoxyethyl)hex-5-enal?
4-(2-phenylmethoxyethyl)hex-5-enal has a molecular weight of 232.32 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylmethoxyethyl)hex-5-enal is sourced from PubChem (CID 139530154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).