(4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol

C27H38O3Se — CID 134931871

IUPAC(4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol
SMILESCCCCCCCCCC/C(=C/[Se](=O)(=O)c1ccccc1)C(O)CCc1ccccc1
InChIInChI=1S/C27H38O3Se/c1-2-3-4-5-6-7-8-13-18-25(23-31(29,30)26-19-14-10-15-20-26)27(28)22-21-24-16-11-9-12-17-24/h9-12,14-17,19-20,23,27-28H,2-8,13,18,21-22H2,1H3/b25-23-
InChIKeyADECBIYXWZQQKF-BZZOAKBMSA-N
MW489.56 g/mol
LogP6.19
Rot. Bonds15

About (4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol

(4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol (PubChem CID 134931871) has the molecular formula C27H38O3Se and a molecular weight of 489.56 g/mol. Its IUPAC name is (4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol.

Molecular Properties

Compound Name(4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol
PubChem CID134931871
Molecular FormulaC27H38O3Se
Molecular Weight489.56 g/mol
Exact Mass490.20
IUPAC Name(4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol
SMILESCCCCCCCCCC/C(=C/[Se](=O)(=O)c1ccccc1)C(O)CCc1ccccc1
InChIInChI=1S/C27H38O3Se/c1-2-3-4-5-6-7-8-13-18-25(23-31(29,30)26-19-14-10-15-20-26)27(28)22-21-24-16-11-9-12-17-24/h9-12,14-17,19-20,23,27-28H,2-8,13,18,21-22H2,1H3/b25-23-
InChIKeyADECBIYXWZQQKF-BZZOAKBMSA-N
XLogP6.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.56
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-1-phenylnonan-4-one
CID 135039078
N-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
(3S)-3-methyl-1-phenylpentadecan-4-one
CID 158218990
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847
[(2R)-4-phenylbutan-2-yl] dodecanoate
CID 101268268
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
CID 25172177
2-(heptanoylamino)-4-phenylbutanoic acid
CID 114916720
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746
(4S)-4-methyl-1-phenyldecan-3-one
CID 134925721
(E)-1-phenyl-4-pyridin-4-ylundec-4-en-3-ol
CID 10426371
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900
hexylbenzene;hydrogen peroxide
CID 90001206

Frequently Asked Questions

What is the IUPAC name of (4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol?
The IUPAC name of (4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol (CID 134931871) is (4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol.
What is the SMILES notation for (4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol?
The canonical SMILES for (4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol is CCCCCCCCCC/C(=C/[Se](=O)(=O)c1ccccc1)C(O)CCc1ccccc1.
What is the InChIKey of (4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol?
The InChIKey is ADECBIYXWZQQKF-BZZOAKBMSA-N. The full InChI is InChI=1S/C27H38O3Se/c1-2-3-4-5-6-7-8-13-18-25(23-31(29,30)26-19-14-10-15-20-26)27(28)22-21-24-16-11-9-12-17-24/h9-12,14-17,19-20,23,27-28H,2-8,13,18,21-22H2,1H3/b25-23-.
What are the key properties of (4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol?
(4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol has a molecular weight of 489.56 g/mol, XLogP of 6.19, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-phenyl-4-(phenylselenonylmethylidene)tetradecan-3-ol is sourced from PubChem (CID 134931871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).