1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene

C14H25O3P — CID 134996636

IUPAC1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene
SMILESCCOP(=O)(/C=C(/CC)C1=CCCCC1)OCC
InChIInChI=1S/C14H25O3P/c1-4-13(14-10-8-7-9-11-14)12-18(15,16-5-2)17-6-3/h10,12H,4-9,11H2,1-3H3/b13-12-
InChIKeyGAAQIHQLTSKMJA-SEYXRHQNSA-N
MW272.32 g/mol
LogP5.05
Rot. Bonds7

About 1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene

1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene (PubChem CID 134996636) has the molecular formula C14H25O3P and a molecular weight of 272.32 g/mol. Its IUPAC name is 1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene.

Molecular Properties

Compound Name1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene
PubChem CID134996636
Molecular FormulaC14H25O3P
Molecular Weight272.32 g/mol
Exact Mass272.15
IUPAC Name1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene
SMILESCCOP(=O)(/C=C(/CC)C1=CCCCC1)OCC
InChIInChI=1S/C14H25O3P/c1-4-13(14-10-8-7-9-11-14)12-18(15,16-5-2)17-6-3/h10,12H,4-9,11H2,1-3H3/b13-12-
InChIKeyGAAQIHQLTSKMJA-SEYXRHQNSA-N
XLogP5.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.32
LogP ≤ 55.05
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

1-(2-Diethoxyphosphorylethynyl)cyclohexene
CID 11085937
(1E,3E)-1-diethoxyphosphoryl-4,8-dimethylnona-1,3,7-triene
CID 11266150
(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
CID 10589442
1-(Diethoxyphosphorylmethyl)cyclohexene
CID 11096460
1-[Bis(diethoxyphosphoryl)methyl]cyclohexene
CID 85686325
1-(Diethoxyphosphorylmethyl)-2-pentylcyclohexene
CID 134877807
1-(Diethoxyphosphorylmethyl)-2-methylcyclohexene
CID 134894958
(E)-1-diethoxyphosphoryl-3-methyloct-2-ene
CID 134894980
(E)-1-diethoxyphosphoryl-2-methyloct-2-ene
CID 134895038
1-[(Z)-1-diethoxyphosphorylhex-1-en-2-yl]cyclohexene
CID 134934924
(4Z,6E)-4-[(E)-2-diethoxyphosphorylethenyl]-5,6-dipropyldeca-4,6-diene
CID 135026457
3-Diethoxyphosphoryl-1-(difluoromethyl)cyclohexene
CID 162536384

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene?
The IUPAC name of 1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene (CID 134996636) is 1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene.
What is the SMILES notation for 1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene?
The canonical SMILES for 1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene is CCOP(=O)(/C=C(/CC)C1=CCCCC1)OCC.
What is the InChIKey of 1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene?
The InChIKey is GAAQIHQLTSKMJA-SEYXRHQNSA-N. The full InChI is InChI=1S/C14H25O3P/c1-4-13(14-10-8-7-9-11-14)12-18(15,16-5-2)17-6-3/h10,12H,4-9,11H2,1-3H3/b13-12-.
What are the key properties of 1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene?
1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene has a molecular weight of 272.32 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-diethoxyphosphorylbut-1-en-2-yl]cyclohexene is sourced from PubChem (CID 134996636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).