(E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol

C14H20OSe — CID 102331524

IUPAC(E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol
SMILESC[Se]C(C/C=C/C(C)(C)O)c1ccccc1
InChIInChI=1S/C14H20OSe/c1-14(2,15)11-7-10-13(16-3)12-8-5-4-6-9-12/h4-9,11,13,15H,10H2,1-3H3/b11-7+
InChIKeyFBLAKPDXQNUUBC-YRNVUSSQSA-N
MW283.27 g/mol
LogP3.20
Rot. Bonds5

About (E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol

(E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol (PubChem CID 102331524) has the molecular formula C14H20OSe and a molecular weight of 283.27 g/mol. Its IUPAC name is (E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol
PubChem CID102331524
Molecular FormulaC14H20OSe
Molecular Weight283.27 g/mol
Exact Mass284.07
IUPAC Name(E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol
SMILESC[Se]C(C/C=C/C(C)(C)O)c1ccccc1
InChIInChI=1S/C14H20OSe/c1-14(2,15)11-7-10-13(16-3)12-8-5-4-6-9-12/h4-9,11,13,15H,10H2,1-3H3/b11-7+
InChIKeyFBLAKPDXQNUUBC-YRNVUSSQSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.20
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

2-methyl-6-phenylhex-3-en-2-ol
CID 73102528
(E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol
CID 162868571
(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene
CID 137470880
2,6-dimethyloct-3-en-2-ol
CID 3019835
3,7-dimethyl-4-phenylocta-1,6-dien-3-ol
CID 118649482
(E)-4-methyl-5-methylselanyl-5-phenylpent-2-en-1-ol
CID 102331525
(3R,4R)-2,2,3-trimethyl-4-phenylhex-5-en-3-ol
CID 102279289
2,3-dimethyl-4-phenylpentane-1,3-diol
CID 141303157
2-methylpropan-2-ol;1-phenylethanol
CID 160949043
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
(2S,3R)-2-cyclopropyl-3-phenylpent-4-en-2-ol
CID 122546090
3,3-dimethyl-2-phenylpent-4-en-1-ol
CID 165392453

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol?
The IUPAC name of (E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol (CID 102331524) is (E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol.
What is the SMILES notation for (E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol?
The canonical SMILES for (E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol is C[Se]C(C/C=C/C(C)(C)O)c1ccccc1.
What is the InChIKey of (E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol?
The InChIKey is FBLAKPDXQNUUBC-YRNVUSSQSA-N. The full InChI is InChI=1S/C14H20OSe/c1-14(2,15)11-7-10-13(16-3)12-8-5-4-6-9-12/h4-9,11,13,15H,10H2,1-3H3/b11-7+.
What are the key properties of (E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol?
(E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol has a molecular weight of 283.27 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-methylselanyl-6-phenylhex-3-en-2-ol is sourced from PubChem (CID 102331524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).