2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide

C13H21O3P — CID 10083727

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC1(C)OP(=O)(C2CC3C=CC2C3)OC1(C)C
InChIInChI=1S/C13H21O3P/c1-12(2)13(3,4)16-17(14,15-12)11-8-9-5-6-10(11)7-9/h5-6,9-11H,7-8H2,1-4H3
InChIKeyUUJAOBUKVCOGHA-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.75
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide

2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 10083727) has the molecular formula C13H21O3P and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID10083727
Molecular FormulaC13H21O3P
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide
SMILESCC1(C)OP(=O)(C2CC3C=CC2C3)OC1(C)C
InChIInChI=1S/C13H21O3P/c1-12(2)13(3,4)16-17(14,15-12)11-8-9-5-6-10(11)7-9/h5-6,9-11H,7-8H2,1-4H3
InChIKeyUUJAOBUKVCOGHA-UHFFFAOYSA-N
XLogP3.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bicyclo[2.2.1]hept-5-enylphosphane
CID 89139519
trimethylsilyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 14391647
2-(2-bicyclo[2.2.1]hept-5-enyl)-2-(3-ethyloxetan-3-yl)acetic acid
CID 68540334
methyl (1S,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 10964695
[(2S)-2-methyloxolan-2-yl] (1R,2R,4S)-bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 124638032
1-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
CID 11869221
(1R)-bicyclo[2.2.1]hept-5-en-2-ol
CID 67822008
2-bicyclo[2.2.1]hept-5-enyl(methyl)sulfamic acid
CID 68726523
2-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-2-methyl-1,3-dioxane
CID 22281035
2-(2-bicyclo[2.2.1]hept-5-enyl)-4,6-dimethyloxane
CID 101130839
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 115685818
(1S,4R,5S)-5-(bromomethyl)bicyclo[2.2.1]hept-2-ene
CID 99137828

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide (CID 10083727) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide is CC1(C)OP(=O)(C2CC3C=CC2C3)OC1(C)C.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is UUJAOBUKVCOGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21O3P/c1-12(2)13(3,4)16-17(14,15-12)11-8-9-5-6-10(11)7-9/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide?
2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 256.28 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-4,4,5,5-tetramethyl-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 10083727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).