cyclohex-2-en-1-ylmethyl phenylselanylformate

C14H16O2Se — CID 14782893

IUPACcyclohex-2-en-1-ylmethyl phenylselanylformate
SMILESO=C(OCC1C=CCCC1)[Se]c1ccccc1
InChIInChI=1S/C14H16O2Se/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h2-3,5-7,9-10,12H,1,4,8,11H2
InChIKeyYLTNGQALLBSORS-UHFFFAOYSA-N
MW295.24 g/mol
LogP2.51
Rot. Bonds4

About cyclohex-2-en-1-ylmethyl phenylselanylformate

cyclohex-2-en-1-ylmethyl phenylselanylformate (PubChem CID 14782893) has the molecular formula C14H16O2Se and a molecular weight of 295.24 g/mol. Its IUPAC name is cyclohex-2-en-1-ylmethyl phenylselanylformate.

Molecular Properties

Compound Namecyclohex-2-en-1-ylmethyl phenylselanylformate
PubChem CID14782893
Molecular FormulaC14H16O2Se
Molecular Weight295.24 g/mol
Exact Mass296.03
IUPAC Namecyclohex-2-en-1-ylmethyl phenylselanylformate
SMILESO=C(OCC1C=CCCC1)[Se]c1ccccc1
InChIInChI=1S/C14H16O2Se/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h2-3,5-7,9-10,12H,1,4,8,11H2
InChIKeyYLTNGQALLBSORS-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohex-2-en-1-ylmethyl 2-phenylcyclopropane-1-carboxylate
CID 20519518
bis(cyclohept-2-en-1-ylmethyl) carbonate
CID 175027779
bis(cyclohex-2-en-1-ylmethyl) cyclohex-4-ene-1,2-dicarboxylate
CID 163744531
2-[(1R)-cyclohex-2-en-1-yl]-N-phenylacetamide
CID 102462286
5-(cyclohex-2-en-1-ylmethoxy)furan-2-carboxylic acid
CID 151251955
methyl 2-[(1S)-cyclohex-2-en-1-yl]-4-phenylselanylbutanoate
CID 139265845
cyclohex-2-en-1-ylmethyl 3-hydroxy-4-methoxy-2-methylbenzoate
CID 23296068
1-[bis(cyclohex-2-en-1-ylmethoxy)phosphoryl]-2-methylbenzene
CID 87589642
phenacyl cyclohex-2-ene-1-carboxylate
CID 2883093
benzyl N-[(1S)-cyclohex-2-en-1-yl]carbamate
CID 129365778
(3R)-3-(2-phenylethyl)cycloheptene
CID 102587437
cyclohexene;cyclohex-2-en-1-yl benzoate
CID 158500035

Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-ylmethyl phenylselanylformate?
The IUPAC name of cyclohex-2-en-1-ylmethyl phenylselanylformate (CID 14782893) is cyclohex-2-en-1-ylmethyl phenylselanylformate.
What is the SMILES notation for cyclohex-2-en-1-ylmethyl phenylselanylformate?
The canonical SMILES for cyclohex-2-en-1-ylmethyl phenylselanylformate is O=C(OCC1C=CCCC1)[Se]c1ccccc1.
What is the InChIKey of cyclohex-2-en-1-ylmethyl phenylselanylformate?
The InChIKey is YLTNGQALLBSORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2Se/c15-14(17-13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h2-3,5-7,9-10,12H,1,4,8,11H2.
What are the key properties of cyclohex-2-en-1-ylmethyl phenylselanylformate?
cyclohex-2-en-1-ylmethyl phenylselanylformate has a molecular weight of 295.24 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylmethyl phenylselanylformate is sourced from PubChem (CID 14782893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).