1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol

C14H25O4P — CID 10637080

IUPAC1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol
SMILESC=CC(C1(O)C=C(C)CCC1)P(=O)(OCC)OCC
InChIInChI=1S/C14H25O4P/c1-5-13(19(16,17-6-2)18-7-3)14(15)10-8-9-12(4)11-14/h5,11,13,15H,1,6-10H2,2-4H3
InChIKeyPFACNVGNCWYUOV-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.67
Rot. Bonds7

About 1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol

1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol (PubChem CID 10637080) has the molecular formula C14H25O4P and a molecular weight of 288.32 g/mol. Its IUPAC name is 1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol
PubChem CID10637080
Molecular FormulaC14H25O4P
Molecular Weight288.32 g/mol
Exact Mass288.15
IUPAC Name1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol
SMILESC=CC(C1(O)C=C(C)CCC1)P(=O)(OCC)OCC
InChIInChI=1S/C14H25O4P/c1-5-13(19(16,17-6-2)18-7-3)14(15)10-8-9-12(4)11-14/h5,11,13,15H,1,6-10H2,2-4H3
InChIKeyPFACNVGNCWYUOV-UHFFFAOYSA-N
XLogP3.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol?
The IUPAC name of 1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol (CID 10637080) is 1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol?
The canonical SMILES for 1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol is C=CC(C1(O)C=C(C)CCC1)P(=O)(OCC)OCC.
What is the InChIKey of 1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol?
The InChIKey is PFACNVGNCWYUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25O4P/c1-5-13(19(16,17-6-2)18-7-3)14(15)10-8-9-12(4)11-14/h5,11,13,15H,1,6-10H2,2-4H3.
What are the key properties of 1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol?
1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol has a molecular weight of 288.32 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-diethoxyphosphorylprop-2-enyl)-3-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 10637080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).