(E)-3,4-bis(phenylselanyl)but-3-en-2-ol

C16H16OSe2 — CID 134932760

IUPAC(E)-3,4-bis(phenylselanyl)but-3-en-2-ol
SMILESCC(O)/C(=C\[Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C16H16OSe2/c1-13(17)16(19-15-10-6-3-7-11-15)12-18-14-8-4-2-5-9-14/h2-13,17H,1H3/b16-12+
InChIKeyRXNCJBGNQQEYQP-FOWTUZBSSA-N
MW382.22 g/mol
LogP1.27
Rot. Bonds5

About (E)-3,4-bis(phenylselanyl)but-3-en-2-ol

(E)-3,4-bis(phenylselanyl)but-3-en-2-ol (PubChem CID 134932760) has the molecular formula C16H16OSe2 and a molecular weight of 382.22 g/mol. Its IUPAC name is (E)-3,4-bis(phenylselanyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-3,4-bis(phenylselanyl)but-3-en-2-ol
PubChem CID134932760
Molecular FormulaC16H16OSe2
Molecular Weight382.22 g/mol
Exact Mass383.95
IUPAC Name(E)-3,4-bis(phenylselanyl)but-3-en-2-ol
SMILESCC(O)/C(=C\[Se]c1ccccc1)[Se]c1ccccc1
InChIInChI=1S/C16H16OSe2/c1-13(17)16(19-15-10-6-3-7-11-15)12-18-14-8-4-2-5-9-14/h2-13,17H,1H3/b16-12+
InChIKeyRXNCJBGNQQEYQP-FOWTUZBSSA-N
XLogP1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Phenylselanylpropan-2-ol
CID 11183499
2-Propanol, 1-(diphenylphosphino)-
CID 2828340
2-(Phenylselanyl)cyclohexan-1-ol
CID 12531121
(Z)-3-triphenylstannylprop-2-en-1-ol
CID 54600851
(2S)-1-diphenylphosphanylpropan-2-ol
CID 796909
(Z)-2,3-bis(phenylselanyl)prop-2-en-1-ol
CID 11187760
(Z)-2-methyl-3,4-bis(phenylselanyl)but-3-en-2-ol
CID 12170665
4-Triphenylplumbylbutan-2-ol
CID 13358617
2-(Phenylselanyl)prop-2-en-1-ol
CID 13514485
4-Phenylselanylbutan-2-ol
CID 14069480
3-Diphenylphosphoryl-5-methylhepta-3,4-dien-2-ol
CID 102358452
trans-(1S,2S)-2-phenylselanylcyclohexan-1-ol
CID 11436759

Frequently Asked Questions

What is the IUPAC name of (E)-3,4-bis(phenylselanyl)but-3-en-2-ol?
The IUPAC name of (E)-3,4-bis(phenylselanyl)but-3-en-2-ol (CID 134932760) is (E)-3,4-bis(phenylselanyl)but-3-en-2-ol.
What is the SMILES notation for (E)-3,4-bis(phenylselanyl)but-3-en-2-ol?
The canonical SMILES for (E)-3,4-bis(phenylselanyl)but-3-en-2-ol is CC(O)/C(=C\[Se]c1ccccc1)[Se]c1ccccc1.
What is the InChIKey of (E)-3,4-bis(phenylselanyl)but-3-en-2-ol?
The InChIKey is RXNCJBGNQQEYQP-FOWTUZBSSA-N. The full InChI is InChI=1S/C16H16OSe2/c1-13(17)16(19-15-10-6-3-7-11-15)12-18-14-8-4-2-5-9-14/h2-13,17H,1H3/b16-12+.
What are the key properties of (E)-3,4-bis(phenylselanyl)but-3-en-2-ol?
(E)-3,4-bis(phenylselanyl)but-3-en-2-ol has a molecular weight of 382.22 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,4-bis(phenylselanyl)but-3-en-2-ol is sourced from PubChem (CID 134932760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).