1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol

C20H37O4P — CID 10809305

IUPAC1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol
SMILESCCOP(=O)(OCC)C(/C=C(\C)CCC=C(C)C)C1(O)CCCCC1
InChIInChI=1S/C20H37O4P/c1-6-23-25(22,24-7-2)19(20(21)14-9-8-10-15-20)16-18(5)13-11-12-17(3)4/h12,16,19,21H,6-11,13-15H2,1-5H3/b18-16+
InChIKeyQNAXBNBJBHSCKE-FBMGVBCBSA-N
MW372.49 g/mol
LogP6.01
Rot. Bonds10

About 1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol

1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol (PubChem CID 10809305) has the molecular formula C20H37O4P and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol
PubChem CID10809305
Molecular FormulaC20H37O4P
Molecular Weight372.49 g/mol
Exact Mass372.24
IUPAC Name1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol
SMILESCCOP(=O)(OCC)C(/C=C(\C)CCC=C(C)C)C1(O)CCCCC1
InChIInChI=1S/C20H37O4P/c1-6-23-25(22,24-7-2)19(20(21)14-9-8-10-15-20)16-18(5)13-11-12-17(3)4/h12,16,19,21H,6-11,13-15H2,1-5H3/b18-16+
InChIKeyQNAXBNBJBHSCKE-FBMGVBCBSA-N
XLogP6.01
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.49
LogP ≤ 56.01
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-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol?
The IUPAC name of 1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol (CID 10809305) is 1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol is CCOP(=O)(OCC)C(/C=C(\C)CCC=C(C)C)C1(O)CCCCC1.
What is the InChIKey of 1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol?
The InChIKey is QNAXBNBJBHSCKE-FBMGVBCBSA-N. The full InChI is InChI=1S/C20H37O4P/c1-6-23-25(22,24-7-2)19(20(21)14-9-8-10-15-20)16-18(5)13-11-12-17(3)4/h12,16,19,21H,6-11,13-15H2,1-5H3/b18-16+.
What are the key properties of 1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol?
1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol has a molecular weight of 372.49 g/mol, XLogP of 6.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-1-diethoxyphosphoryl-3,7-dimethylocta-2,6-dienyl]cyclohexan-1-ol is sourced from PubChem (CID 10809305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).