4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol

C14H23IOSe — CID 134896664

IUPAC4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol
SMILESC[Se](C)(I)C(CCCO)CCc1ccccc1
InChIInChI=1S/C14H23IOSe/c1-17(2,15)14(9-6-12-16)11-10-13-7-4-3-5-8-13/h3-5,7-8,14,16H,6,9-12H2,1-2H3
InChIKeyWONAEFZYXOIRIG-UHFFFAOYSA-N
MW413.20 g/mol
LogP4.40
Rot. Bonds7

About 4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol

4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol (PubChem CID 134896664) has the molecular formula C14H23IOSe and a molecular weight of 413.20 g/mol. Its IUPAC name is 4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol.

Molecular Properties

Compound Name4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol
PubChem CID134896664
Molecular FormulaC14H23IOSe
Molecular Weight413.20 g/mol
Exact Mass414.00
IUPAC Name4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol
SMILESC[Se](C)(I)C(CCCO)CCc1ccccc1
InChIInChI=1S/C14H23IOSe/c1-17(2,15)14(9-6-12-16)11-10-13-7-4-3-5-8-13/h3-5,7-8,14,16H,6,9-12H2,1-2H3
InChIKeyWONAEFZYXOIRIG-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.20
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-3-(2-phenylethyl)hexan-2-one
CID 174363911
3-iodo-5-phenylpentan-1-ol
CID 72737270
N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
[5-hydroxy-2-(2-phenylethyl)pentyl] acetate
CID 139794591
2-amino-4-phenylbutan-1-ol
CID 159249603
2-amino-4-phenylbutan-1-ol;hydrochloride
CID 132647955
3-(2-hydroxyethyl)-5-phenylpentan-2-one
CID 103344035
8-phenyloct-4-yne-1,6-diol
CID 101480426
(2R)-1-iodo-4-phenylbutan-2-ol
CID 142003029
butane-2,3-diol;2-phenylethanol
CID 175116943
4-(benzylamino)pentan-1-ol
CID 75356500
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771

Frequently Asked Questions

What is the IUPAC name of 4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol?
The IUPAC name of 4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol (CID 134896664) is 4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol.
What is the SMILES notation for 4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol?
The canonical SMILES for 4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol is C[Se](C)(I)C(CCCO)CCc1ccccc1.
What is the InChIKey of 4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol?
The InChIKey is WONAEFZYXOIRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23IOSe/c1-17(2,15)14(9-6-12-16)11-10-13-7-4-3-5-8-13/h3-5,7-8,14,16H,6,9-12H2,1-2H3.
What are the key properties of 4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol?
4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol has a molecular weight of 413.20 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[iodo(dimethyl)-λ4-selanyl]-6-phenylhexan-1-ol is sourced from PubChem (CID 134896664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).