(4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol

C13H18OSe — CID 12618573

IUPAC(4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol
SMILESCC1(C)C[C@@H](O)C[C@H](c2ccccc2)[Se]1
InChIInChI=1S/C13H18OSe/c1-13(2)9-11(14)8-12(15-13)10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyPTVVPVIJZLQXCB-NWDGAFQWSA-N
MW269.25 g/mol
LogP2.79
Rot. Bonds1

About (4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol

(4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol (PubChem CID 12618573) has the molecular formula C13H18OSe and a molecular weight of 269.25 g/mol. Its IUPAC name is (4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol.

Molecular Properties

Compound Name(4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol
PubChem CID12618573
Molecular FormulaC13H18OSe
Molecular Weight269.25 g/mol
Exact Mass270.05
IUPAC Name(4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol
SMILESCC1(C)C[C@@H](O)C[C@H](c2ccccc2)[Se]1
InChIInChI=1S/C13H18OSe/c1-13(2)9-11(14)8-12(15-13)10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyPTVVPVIJZLQXCB-NWDGAFQWSA-N
XLogP2.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 6054
CID 6054
CID 3338
CID 3338
CID 31234
CID 31234
CID 61516
CID 61516
CID 7632
CID 7632
CID 62661
CID 62661
CID 14295
CID 14295
CID 61302
CID 61302
CID 61523
CID 61523
CID 5368491
CID 5368491
CID 108312
CID 108312
CID 61202
CID 61202

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol?
The IUPAC name of (4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol (CID 12618573) is (4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol.
What is the SMILES notation for (4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol?
The canonical SMILES for (4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol is CC1(C)C[C@@H](O)C[C@H](c2ccccc2)[Se]1.
What is the InChIKey of (4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol?
The InChIKey is PTVVPVIJZLQXCB-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H18OSe/c1-13(2)9-11(14)8-12(15-13)10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol?
(4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol has a molecular weight of 269.25 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-2,2-dimethyl-6-phenylselenan-4-ol is sourced from PubChem (CID 12618573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).