2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol

C16H22OSe — CID 71412008

IUPAC2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol
SMILESCC(=CCCC(C)=CC[Se]c1ccccc1)CO
InChIInChI=1S/C16H22OSe/c1-14(7-6-8-15(2)13-17)11-12-18-16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3
InChIKeyPLIOMQVQSZEZTE-UHFFFAOYSA-N
MW309.31 g/mol
LogP3.10
Rot. Bonds7

About 2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol

2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol (PubChem CID 71412008) has the molecular formula C16H22OSe and a molecular weight of 309.31 g/mol. Its IUPAC name is 2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol
PubChem CID71412008
Molecular FormulaC16H22OSe
Molecular Weight309.31 g/mol
Exact Mass310.08
IUPAC Name2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol
SMILESCC(=CCCC(C)=CC[Se]c1ccccc1)CO
InChIInChI=1S/C16H22OSe/c1-14(7-6-8-15(2)13-17)11-12-18-16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3
InChIKeyPLIOMQVQSZEZTE-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2E,6E,10E)-3,7,11-trimethyl-12-phenyldodeca-2,6,10-trien-1-ol
CID 53310712
(2E,6E)-3,7-dimethyl-8-phenylocta-2,6-dien-1-ol
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CID 71349271
(2Z,5E)-2-[4,4-bis(phenylsulfanyl)pentylidene]-6,10-dimethylundeca-5,9-dien-1-ol
CID 11070884
8-ethyl-2,6,10,14-tetramethyl-16-phenylmethoxyhexadeca-2,6,10,14-tetraen-1-ol
CID 91227290
(2E,6Z)-2-[(3Z,7Z)-9-hydroxy-4,8-dimethylnona-3,7-dienyl]-6-methylocta-2,6-dienedioic acid
CID 163184467
(3-methyl-6-phenylhex-3-enyl)benzene
CID 175487597
6,10-dimethyl-11-phenylundeca-5,9-dien-2-ol
CID 123873532
triphenyl(3,7,11-trimethyltrideca-2,6,10-trienyl)phosphanium chloride
CID 158884671
(6Z,10Z,14Z,18Z)-2,23-bis(hydroxymethyl)-6,10,15,19-tetramethyltetracosa-2,6,10,14,18,22-hexaene-1,24-diol
CID 25112523

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol?
The IUPAC name of 2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol (CID 71412008) is 2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol.
What is the SMILES notation for 2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol?
The canonical SMILES for 2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol is CC(=CCCC(C)=CC[Se]c1ccccc1)CO.
What is the InChIKey of 2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol?
The InChIKey is PLIOMQVQSZEZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OSe/c1-14(7-6-8-15(2)13-17)11-12-18-16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3.
What are the key properties of 2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol?
2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol has a molecular weight of 309.31 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-phenylselanylocta-2,6-dien-1-ol is sourced from PubChem (CID 71412008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).