1-diethoxyphosphorylcycloheptene

C11H21O3P — CID 12856521

IUPAC1-diethoxyphosphorylcycloheptene
SMILESCCOP(=O)(OCC)C1=CCCCCC1
InChIInChI=1S/C11H21O3P/c1-3-13-15(12,14-4-2)11-9-7-5-6-8-10-11/h9H,3-8,10H2,1-2H3
InChIKeyANXSUJURWUVNKE-UHFFFAOYSA-N
MW232.26 g/mol
LogP4.10
Rot. Bonds5

About 1-diethoxyphosphorylcycloheptene

1-diethoxyphosphorylcycloheptene (PubChem CID 12856521) has the molecular formula C11H21O3P and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-diethoxyphosphorylcycloheptene.

Molecular Properties

Compound Name1-diethoxyphosphorylcycloheptene
PubChem CID12856521
Molecular FormulaC11H21O3P
Molecular Weight232.26 g/mol
Exact Mass232.12
IUPAC Name1-diethoxyphosphorylcycloheptene
SMILESCCOP(=O)(OCC)C1=CCCCCC1
InChIInChI=1S/C11H21O3P/c1-3-13-15(12,14-4-2)11-9-7-5-6-8-10-11/h9H,3-8,10H2,1-2H3
InChIKeyANXSUJURWUVNKE-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 54.10
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

(Z)-1-diethoxyphosphoryl-1-fluorooct-2-ene
CID 100929330
Diethyl 1-octen-2-yl-phosphonate
CID 10857821
(E)-1-diethoxyphosphoryloct-1-ene
CID 11032225
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
4-Diethoxyphosphorylcyclohexene
CID 85519806
1-Diethoxyphosphorylcyclohexene
CID 10560750
Phosphonic acid, 7-octenyl-, diethyl ester
CID 10682001
Diethoxyphosphorylcyclopentene
CID 10774533
(E)-2-diethoxyphosphorylpent-2-ene
CID 13613003
Diethyl oct-1-en-1-ylphosphonate
CID 54302676
Diethyl (9z,12z)-octadeca-9,12-dien-1-ylphosphonate
CID 150186425

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphorylcycloheptene?
The IUPAC name of 1-diethoxyphosphorylcycloheptene (CID 12856521) is 1-diethoxyphosphorylcycloheptene.
What is the SMILES notation for 1-diethoxyphosphorylcycloheptene?
The canonical SMILES for 1-diethoxyphosphorylcycloheptene is CCOP(=O)(OCC)C1=CCCCCC1.
What is the InChIKey of 1-diethoxyphosphorylcycloheptene?
The InChIKey is ANXSUJURWUVNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21O3P/c1-3-13-15(12,14-4-2)11-9-7-5-6-8-10-11/h9H,3-8,10H2,1-2H3.
What are the key properties of 1-diethoxyphosphorylcycloheptene?
1-diethoxyphosphorylcycloheptene has a molecular weight of 232.26 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphorylcycloheptene is sourced from PubChem (CID 12856521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).