(2S,7R)-2,7-bis(phenylselanylmethyl)oxepane

C20H24OSe2 — CID 139264964

IUPAC(2S,7R)-2,7-bis(phenylselanylmethyl)oxepane
SMILESc1ccc([Se]C[C@H]2CCCC[C@@H](C[Se]c3ccccc3)O2)cc1
InChIInChI=1S/C20H24OSe2/c1-3-11-19(12-4-1)22-15-17-9-7-8-10-18(21-17)16-23-20-13-5-2-6-14-20/h1-6,11-14,17-18H,7-10,15-16H2/t17-,18+
InChIKeySAPONQAQMCHOBM-HDICACEKSA-N
MW438.33 g/mol
LogP3.21
Rot. Bonds6

About (2S,7R)-2,7-bis(phenylselanylmethyl)oxepane

(2S,7R)-2,7-bis(phenylselanylmethyl)oxepane (PubChem CID 139264964) has the molecular formula C20H24OSe2 and a molecular weight of 438.33 g/mol. Its IUPAC name is (2S,7R)-2,7-bis(phenylselanylmethyl)oxepane.

Molecular Properties

Compound Name(2S,7R)-2,7-bis(phenylselanylmethyl)oxepane
PubChem CID139264964
Molecular FormulaC20H24OSe2
Molecular Weight438.33 g/mol
Exact Mass440.02
IUPAC Name(2S,7R)-2,7-bis(phenylselanylmethyl)oxepane
SMILESc1ccc([Se]C[C@H]2CCCC[C@@H](C[Se]c3ccccc3)O2)cc1
InChIInChI=1S/C20H24OSe2/c1-3-11-19(12-4-1)22-15-17-9-7-8-10-18(21-17)16-23-20-13-5-2-6-14-20/h1-6,11-14,17-18H,7-10,15-16H2/t17-,18+
InChIKeySAPONQAQMCHOBM-HDICACEKSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-2-methyl-5-(phenylselanylmethyl)oxolane
CID 71355561
(2S,3aS,7aR)-2-(phenylselanylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 101007954
2-cyclohexylethylselanylbenzene
CID 170984114
4-(2-phenylselanylethyl)-1,3-dioxocan-2-one
CID 10267560
(1R,3R)-1-methoxy-3-(phenylselanylmethyl)-2-oxaspiro[4.5]decane
CID 11782748
5-methyl-1-oxido-2-(phenylselanylmethyl)-3,4-dihydro-2H-pyrrol-1-ium
CID 12015583
1-benzyl-2-(phenylselanylmethyl)-1-azaspiro[3.5]nonane
CID 10937861
CID 101158732
CID 101158732
(2S)-2-phenyl-5-(phenylselanylmethyl)pyrrolidine
CID 139265812
2-phenylselanyloxane
CID 11118188
(2R,3S,4R)-4-phenyl-2-(phenylselanylmethyl)-3-propan-2-yloxane
CID 15349176
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749

Frequently Asked Questions

What is the IUPAC name of (2S,7R)-2,7-bis(phenylselanylmethyl)oxepane?
The IUPAC name of (2S,7R)-2,7-bis(phenylselanylmethyl)oxepane (CID 139264964) is (2S,7R)-2,7-bis(phenylselanylmethyl)oxepane.
What is the SMILES notation for (2S,7R)-2,7-bis(phenylselanylmethyl)oxepane?
The canonical SMILES for (2S,7R)-2,7-bis(phenylselanylmethyl)oxepane is c1ccc([Se]C[C@H]2CCCC[C@@H](C[Se]c3ccccc3)O2)cc1.
What is the InChIKey of (2S,7R)-2,7-bis(phenylselanylmethyl)oxepane?
The InChIKey is SAPONQAQMCHOBM-HDICACEKSA-N. The full InChI is InChI=1S/C20H24OSe2/c1-3-11-19(12-4-1)22-15-17-9-7-8-10-18(21-17)16-23-20-13-5-2-6-14-20/h1-6,11-14,17-18H,7-10,15-16H2/t17-,18+.
What are the key properties of (2S,7R)-2,7-bis(phenylselanylmethyl)oxepane?
(2S,7R)-2,7-bis(phenylselanylmethyl)oxepane has a molecular weight of 438.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7R)-2,7-bis(phenylselanylmethyl)oxepane is sourced from PubChem (CID 139264964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).