1-diethoxyphosphoryl-2-ethoxycyclohexene

C12H23O4P — CID 14963268

IUPAC1-diethoxyphosphoryl-2-ethoxycyclohexene
SMILESCCOC1=C(P(=O)(OCC)OCC)CCCC1
InChIInChI=1S/C12H23O4P/c1-4-14-11-9-7-8-10-12(11)17(13,15-5-2)16-6-3/h4-10H2,1-3H3
InChIKeyWRWSKNBBTUNJTG-UHFFFAOYSA-N
MW262.29 g/mol
LogP4.07
Rot. Bonds7

About 1-diethoxyphosphoryl-2-ethoxycyclohexene

1-diethoxyphosphoryl-2-ethoxycyclohexene (PubChem CID 14963268) has the molecular formula C12H23O4P and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-2-ethoxycyclohexene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-2-ethoxycyclohexene
PubChem CID14963268
Molecular FormulaC12H23O4P
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name1-diethoxyphosphoryl-2-ethoxycyclohexene
SMILESCCOC1=C(P(=O)(OCC)OCC)CCCC1
InChIInChI=1S/C12H23O4P/c1-4-14-11-9-7-8-10-12(11)17(13,15-5-2)16-6-3/h4-10H2,1-3H3
InChIKeyWRWSKNBBTUNJTG-UHFFFAOYSA-N
XLogP4.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-2-ethoxycyclohexene?
The IUPAC name of 1-diethoxyphosphoryl-2-ethoxycyclohexene (CID 14963268) is 1-diethoxyphosphoryl-2-ethoxycyclohexene.
What is the SMILES notation for 1-diethoxyphosphoryl-2-ethoxycyclohexene?
The canonical SMILES for 1-diethoxyphosphoryl-2-ethoxycyclohexene is CCOC1=C(P(=O)(OCC)OCC)CCCC1.
What is the InChIKey of 1-diethoxyphosphoryl-2-ethoxycyclohexene?
The InChIKey is WRWSKNBBTUNJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O4P/c1-4-14-11-9-7-8-10-12(11)17(13,15-5-2)16-6-3/h4-10H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-2-ethoxycyclohexene?
1-diethoxyphosphoryl-2-ethoxycyclohexene has a molecular weight of 262.29 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-2-ethoxycyclohexene is sourced from PubChem (CID 14963268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).