1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene

C12H21O3P — CID 11356967

IUPAC1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene
SMILESCCOP(=O)(/C=C/C1=CCCCC1)OCC
InChIInChI=1S/C12H21O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h8,10-11H,3-7,9H2,1-2H3/b11-10+
InChIKeyGZBLCQSBUIVEPN-ZHACJKMWSA-N
MW244.27 g/mol
LogP4.27
Rot. Bonds6

About 1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene

1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene (PubChem CID 11356967) has the molecular formula C12H21O3P and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene.

Molecular Properties

Compound Name1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene
PubChem CID11356967
Molecular FormulaC12H21O3P
Molecular Weight244.27 g/mol
Exact Mass244.12
IUPAC Name1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene
SMILESCCOP(=O)(/C=C/C1=CCCCC1)OCC
InChIInChI=1S/C12H21O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h8,10-11H,3-7,9H2,1-2H3/b11-10+
InChIKeyGZBLCQSBUIVEPN-ZHACJKMWSA-N
XLogP4.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 54.27
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

[(2E,4E)-4-Methyl-2,4-hexadienyl]phosphonic acid diethyl ester
CID 10966369
(E)-1-diethoxyphosphoryl-1-fluoronon-2-ene
CID 15449246
(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
1-(2-Diethoxyphosphorylethynyl)cyclohexene
CID 11085937
4-Diethoxyphosphorylcyclohexene
CID 85519806
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
(1E,4E,6E)-1-diethoxyphosphoryl-3,7,11-trimethyldodeca-1,4,6,10-tetraene
CID 89272554
(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
CID 10589442
1-(Diethoxyphosphorylmethyl)cyclohexene
CID 11096460
1-[Bis(diethoxyphosphoryl)methyl]cyclohexene
CID 85686325
Diethyl 2-methyl-3-cyclohexenylphosphonate
CID 129813730
(E)-1-diethoxyphosphoryl-3-methyloct-2-ene
CID 134894980

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene?
The IUPAC name of 1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene (CID 11356967) is 1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene.
What is the SMILES notation for 1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene?
The canonical SMILES for 1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene is CCOP(=O)(/C=C/C1=CCCCC1)OCC.
What is the InChIKey of 1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene?
The InChIKey is GZBLCQSBUIVEPN-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H21O3P/c1-3-14-16(13,15-4-2)11-10-12-8-6-5-7-9-12/h8,10-11H,3-7,9H2,1-2H3/b11-10+.
What are the key properties of 1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene?
1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene has a molecular weight of 244.27 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-diethoxyphosphorylethenyl]cyclohexene is sourced from PubChem (CID 11356967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).