(E)-3-methyl-1-phenylselanylpent-1-en-3-ol

C12H16OSe — CID 23269461

IUPAC(E)-3-methyl-1-phenylselanylpent-1-en-3-ol
SMILESCCC(C)(O)/C=C/[Se]c1ccccc1
InChIInChI=1S/C12H16OSe/c1-3-12(2,13)9-10-14-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b10-9+
InChIKeyHIWDRUKCAKHBPD-MDZDMXLPSA-N
MW255.22 g/mol
LogP1.69
Rot. Bonds4

About (E)-3-methyl-1-phenylselanylpent-1-en-3-ol

(E)-3-methyl-1-phenylselanylpent-1-en-3-ol (PubChem CID 23269461) has the molecular formula C12H16OSe and a molecular weight of 255.22 g/mol. Its IUPAC name is (E)-3-methyl-1-phenylselanylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-3-methyl-1-phenylselanylpent-1-en-3-ol
PubChem CID23269461
Molecular FormulaC12H16OSe
Molecular Weight255.22 g/mol
Exact Mass256.04
IUPAC Name(E)-3-methyl-1-phenylselanylpent-1-en-3-ol
SMILESCCC(C)(O)/C=C/[Se]c1ccccc1
InChIInChI=1S/C12H16OSe/c1-3-12(2,13)9-10-14-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b10-9+
InChIKeyHIWDRUKCAKHBPD-MDZDMXLPSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-1-phenylselanylpent-1-en-3-ol?
The IUPAC name of (E)-3-methyl-1-phenylselanylpent-1-en-3-ol (CID 23269461) is (E)-3-methyl-1-phenylselanylpent-1-en-3-ol.
What is the SMILES notation for (E)-3-methyl-1-phenylselanylpent-1-en-3-ol?
The canonical SMILES for (E)-3-methyl-1-phenylselanylpent-1-en-3-ol is CCC(C)(O)/C=C/[Se]c1ccccc1.
What is the InChIKey of (E)-3-methyl-1-phenylselanylpent-1-en-3-ol?
The InChIKey is HIWDRUKCAKHBPD-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H16OSe/c1-3-12(2,13)9-10-14-11-7-5-4-6-8-11/h4-10,13H,3H2,1-2H3/b10-9+.
What are the key properties of (E)-3-methyl-1-phenylselanylpent-1-en-3-ol?
(E)-3-methyl-1-phenylselanylpent-1-en-3-ol has a molecular weight of 255.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-1-phenylselanylpent-1-en-3-ol is sourced from PubChem (CID 23269461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).