(1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene

C11H19O3P — CID 10977276

IUPAC(1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene
SMILESCCOP(=O)(OCC)C1=C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C11H19O3P/c1-3-13-15(12,14-4-2)11-8-9-5-6-10(11)7-9/h8-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyWFPIVRUWNZSPAN-VHSXEESVSA-N
MW230.24 g/mol
LogP3.57
Rot. Bonds5

About (1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene

(1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene (PubChem CID 10977276) has the molecular formula C11H19O3P and a molecular weight of 230.24 g/mol. Its IUPAC name is (1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene
PubChem CID10977276
Molecular FormulaC11H19O3P
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name(1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene
SMILESCCOP(=O)(OCC)C1=C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C11H19O3P/c1-3-13-15(12,14-4-2)11-8-9-5-6-10(11)7-9/h8-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKeyWFPIVRUWNZSPAN-VHSXEESVSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Diethoxyphosphorylbicyclo[2.2.1]hept-2-ene
CID 14249797
Phosphonic acid, 5-norbornen-2-yl-, dimethyl ester, exo-
CID 283790
Diethyl 2-methyl-3-cyclohexenylphosphonate
CID 129813730
(1S,4S,5Z)-5-[diethoxyphosphoryl(fluoro)methylidene]bicyclo[2.2.1]hept-2-ene
CID 10611338
(5E)-5-[diethoxyphosphoryl(fluoro)methylidene]bicyclo[2.2.1]hept-2-ene
CID 101010160
3-(Diethoxyphosphorylmethyl)cyclohexene
CID 14967988
Phosphonic acid, (3,7-dimethyl-6-octenyl)-, diethyl ester
CID 10683877
Bicyclo[2.2.1]hept-2-ene;methyl dihydrogen phosphate
CID 19827240
Bicyclo[2.2.1]hept-2-en-2-yl diethyl phosphate
CID 21217591
2,3-Bis(diethoxyphosphoryl)bicyclo[2.2.1]hepta-2,5-diene
CID 21675343
Cyclohex-3-enylmethylphosphinic acid ethyl ester
CID 21805328
2-Bicyclo[2.2.1]hept-2-enylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
CID 53945057

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene (CID 10977276) is (1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene is CCOP(=O)(OCC)C1=C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene?
The InChIKey is WFPIVRUWNZSPAN-VHSXEESVSA-N. The full InChI is InChI=1S/C11H19O3P/c1-3-13-15(12,14-4-2)11-8-9-5-6-10(11)7-9/h8-10H,3-7H2,1-2H3/t9-,10+/m0/s1.
What are the key properties of (1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene?
(1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene has a molecular weight of 230.24 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-2-diethoxyphosphorylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 10977276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).