(Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol

C15H22O2Se — CID 10828971

IUPAC(Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol
SMILESCCO/C=C(\[Se]c1ccccc1)C(O)C(C)(C)C
InChIInChI=1S/C15H22O2Se/c1-5-17-11-13(14(16)15(2,3)4)18-12-9-7-6-8-10-12/h6-11,14,16H,5H2,1-4H3/b13-11-
InChIKeyYYZFFCNTUSGCNU-QBFSEMIESA-N
MW313.30 g/mol
LogP2.30
Rot. Bonds5

About (Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol

(Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol (PubChem CID 10828971) has the molecular formula C15H22O2Se and a molecular weight of 313.30 g/mol. Its IUPAC name is (Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol
PubChem CID10828971
Molecular FormulaC15H22O2Se
Molecular Weight313.30 g/mol
Exact Mass314.08
IUPAC Name(Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol
SMILESCCO/C=C(\[Se]c1ccccc1)C(O)C(C)(C)C
InChIInChI=1S/C15H22O2Se/c1-5-17-11-13(14(16)15(2,3)4)18-12-9-7-6-8-10-12/h6-11,14,16H,5H2,1-4H3/b13-11-
InChIKeyYYZFFCNTUSGCNU-QBFSEMIESA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-ethoxy-4,4-dimethyl-2-phenyltellanylpent-1-en-3-ol
CID 11302916
(E)-1-ethoxy-4,4-dimethyl-2-phenyltellanylpent-1-en-3-ol
CID 11337394
4-Methyl-4-phenylselanylpentan-2-ol
CID 11425381
3-(Benzeneselenonyl)-5,5-dimethylcyclohex-2-en-1-ol
CID 12757738
(Z)-4-phenylselanylbut-3-en-2-ol
CID 13444933
(Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
CID 15207026
(2S)-3,3-dimethyl-2-phenylselanylbutan-1-ol
CID 101436535
3,3-Dimethyl-1-phenylselanylbutan-2-ol
CID 132581432
4,4-Dimethyl-3-phenylselenonylcyclopent-2-en-1-ol
CID 134891066
4-Methyl-2-phenylselanylpent-1-en-3-ol
CID 134905165
(E)-2,6-dimethyl-4-phenylselanylhept-4-en-3-ol
CID 134905231
(1E,5E)-1-phenylselanylhepta-1,5-dien-4-ol
CID 134905883

Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol?
The IUPAC name of (Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol (CID 10828971) is (Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol.
What is the SMILES notation for (Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol?
The canonical SMILES for (Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol is CCO/C=C(\[Se]c1ccccc1)C(O)C(C)(C)C.
What is the InChIKey of (Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol?
The InChIKey is YYZFFCNTUSGCNU-QBFSEMIESA-N. The full InChI is InChI=1S/C15H22O2Se/c1-5-17-11-13(14(16)15(2,3)4)18-12-9-7-6-8-10-12/h6-11,14,16H,5H2,1-4H3/b13-11-.
What are the key properties of (Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol?
(Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol has a molecular weight of 313.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxy-4,4-dimethyl-2-phenylselanylpent-1-en-3-ol is sourced from PubChem (CID 10828971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).