(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane

C14H20OSe — CID 161051476

IUPAC(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane
SMILESCC[C@H]1[Se]C[C@@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C14H20OSe/c1-3-14-11(2)13(10-16-14)15-9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3/t11-,13+,14+/m0/s1
InChIKeyCHBPHIRTZLMHLG-IACUBPJLSA-N
MW283.27 g/mol
LogP3.54
Rot. Bonds4

About (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane

(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane (PubChem CID 161051476) has the molecular formula C14H20OSe and a molecular weight of 283.27 g/mol. Its IUPAC name is (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane.

Molecular Properties

Compound Name(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane
PubChem CID161051476
Molecular FormulaC14H20OSe
Molecular Weight283.27 g/mol
Exact Mass284.07
IUPAC Name(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane
SMILESCC[C@H]1[Se]C[C@@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C14H20OSe/c1-3-14-11(2)13(10-16-14)15-9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3/t11-,13+,14+/m0/s1
InChIKeyCHBPHIRTZLMHLG-IACUBPJLSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.54
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

(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxythiolane
CID 58320971
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
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[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(3R,4R,5S)-3,4,5-tris(phenylmethoxy)selenan-2-ol
CID 11059943
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
2-ethyl-3,4-dimethyl-5-phenylmethoxy-1-prop-2-enylpiperidine
CID 58732890
(2R,3S,4S,5S,6S)-2-ethyl-3-methyl-6-(2-methylpropyl)-4,5-bis(phenylmethoxy)oxane
CID 118175463
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane?
The IUPAC name of (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane (CID 161051476) is (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane.
What is the SMILES notation for (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane?
The canonical SMILES for (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane is CC[C@H]1[Se]C[C@@H](OCc2ccccc2)[C@@H]1C.
What is the InChIKey of (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane?
The InChIKey is CHBPHIRTZLMHLG-IACUBPJLSA-N. The full InChI is InChI=1S/C14H20OSe/c1-3-14-11(2)13(10-16-14)15-9-12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3/t11-,13+,14+/m0/s1.
What are the key properties of (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane?
(2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane has a molecular weight of 283.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-ethyl-3-methyl-4-phenylmethoxyselenolane is sourced from PubChem (CID 161051476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).