(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol

C14H21NO2 — CID 11172393

IUPAC(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
SMILESC/C(CC(O)C(C)C)=N\OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)14(16)9-12(3)15-17-10-13-7-5-4-6-8-13/h4-8,11,14,16H,9-10H2,1-3H3/b15-12+
InChIKeyCDKACNMJUCMHOI-NTCAYCPXSA-N
MW235.33 g/mol
LogP2.99
Rot. Bonds6

About (5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol

(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol (PubChem CID 11172393) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol.

Molecular Properties

Compound Name(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
PubChem CID11172393
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol
SMILESC/C(CC(O)C(C)C)=N\OCc1ccccc1
InChIInChI=1S/C14H21NO2/c1-11(2)14(16)9-12(3)15-17-10-13-7-5-4-6-8-13/h4-8,11,14,16H,9-10H2,1-3H3/b15-12+
InChIKeyCDKACNMJUCMHOI-NTCAYCPXSA-N
XLogP2.99
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
(3E)-1-cyclohexyl-3-phenylmethoxyiminobutan-1-ol
CID 11231189
(2E)-2-phenylmethoxyiminobutane-1,3-diol
CID 11138334
4-[(4-methoxyphenyl)methoxyimino]pentan-2-ol
CID 123560154
(Z)-2-methyl-N-phenylmethoxypentan-3-imine
CID 155206279
1-phenyl-1-N,3-N-bis(phenylmethoxy)butane-1,3-diimine
CID 87328837
(2R,3R)-3-phenylmethoxybutane-1,2-diol
CID 13119193
(4S,5R)-4-hydroxy-6-methyl-5-phenylmethoxyheptan-2-one
CID 102255359
(3R,4S,5S)-4-methyl-5-phenylmethoxyhexan-3-ol
CID 10799076
(4S)-4-phenylmethoxypentan-2-one
CID 13214355
5-phenylmethoxyimino-2-propylhexanenitrile
CID 140887382
(E)-1-cyclopropyl-N-phenylmethoxyethanimine
CID 163358834

Frequently Asked Questions

What is the IUPAC name of (5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol?
The IUPAC name of (5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol (CID 11172393) is (5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol.
What is the SMILES notation for (5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol?
The canonical SMILES for (5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol is C/C(CC(O)C(C)C)=N\OCc1ccccc1.
What is the InChIKey of (5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol?
The InChIKey is CDKACNMJUCMHOI-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(2)14(16)9-12(3)15-17-10-13-7-5-4-6-8-13/h4-8,11,14,16H,9-10H2,1-3H3/b15-12+.
What are the key properties of (5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol?
(5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol has a molecular weight of 235.33 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-methyl-5-phenylmethoxyiminohexan-3-ol is sourced from PubChem (CID 11172393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).