(6E)-6-phenylmethoxyiminohexanal

C13H17NO2 — CID 14120171

IUPAC(6E)-6-phenylmethoxyiminohexanal
SMILESO=CCCCC/C=N/OCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-11-7-2-1-6-10-14-16-12-13-8-4-3-5-9-13/h3-5,8-11H,1-2,6-7,12H2/b14-10+
InChIKeyMBEVDLHJNWVOMK-GXDHUFHOSA-N
MW219.28 g/mol
LogP2.95
Rot. Bonds8

About (6E)-6-phenylmethoxyiminohexanal

(6E)-6-phenylmethoxyiminohexanal (PubChem CID 14120171) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (6E)-6-phenylmethoxyiminohexanal.

Molecular Properties

Compound Name(6E)-6-phenylmethoxyiminohexanal
PubChem CID14120171
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(6E)-6-phenylmethoxyiminohexanal
SMILESO=CCCCC/C=N/OCc1ccccc1
InChIInChI=1S/C13H17NO2/c15-11-7-2-1-6-10-14-16-12-13-8-4-3-5-9-13/h3-5,8-11H,1-2,6-7,12H2/b14-10+
InChIKeyMBEVDLHJNWVOMK-GXDHUFHOSA-N
XLogP2.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.95
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
2-phenylmethoxyiminoacetaldehyde
CID 56611193
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
(E)-4-[(2R)-3-methylbutan-2-yl]oxy-N-phenylmethoxybutan-1-imine
CID 59445415
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
(E)-4-(3-methylcyclopentyl)-N-phenylmethoxybutan-1-imine
CID 177476839
(Z)-3-diethoxyphosphoryl-N-phenylmethoxypropan-1-imine
CID 102508862
14-(14-oxo-1-phenylmethoxytetradec-2-enoxy)-14-phenylmethoxytetradec-12-enal
CID 162350506
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168
(7S)-7,10-bis(phenylmethoxy)decanal
CID 25269716
7-(7-oxo-1-phenylmethoxyhept-2-enoxy)-7-phenylmethoxyhept-5-enal
CID 162350449
3-phenyl-N-phenylmethoxyprop-2-en-1-imine
CID 75740750

Frequently Asked Questions

What is the IUPAC name of (6E)-6-phenylmethoxyiminohexanal?
The IUPAC name of (6E)-6-phenylmethoxyiminohexanal (CID 14120171) is (6E)-6-phenylmethoxyiminohexanal.
What is the SMILES notation for (6E)-6-phenylmethoxyiminohexanal?
The canonical SMILES for (6E)-6-phenylmethoxyiminohexanal is O=CCCCC/C=N/OCc1ccccc1.
What is the InChIKey of (6E)-6-phenylmethoxyiminohexanal?
The InChIKey is MBEVDLHJNWVOMK-GXDHUFHOSA-N. The full InChI is InChI=1S/C13H17NO2/c15-11-7-2-1-6-10-14-16-12-13-8-4-3-5-9-13/h3-5,8-11H,1-2,6-7,12H2/b14-10+.
What are the key properties of (6E)-6-phenylmethoxyiminohexanal?
(6E)-6-phenylmethoxyiminohexanal has a molecular weight of 219.28 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-phenylmethoxyiminohexanal is sourced from PubChem (CID 14120171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).