2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol

C12H23O4P — CID 135228965

IUPAC2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol
SMILESCC=C1CCC(C(O)CP(=O)(OC)OC)CC1
InChIInChI=1S/C12H23O4P/c1-4-10-5-7-11(8-6-10)12(13)9-17(14,15-2)16-3/h4,11-13H,5-9H2,1-3H3/b10-4-
InChIKeyXKYATYKKOITYEG-WMZJFQQLSA-N
MW262.29 g/mol
LogP2.97
Rot. Bonds5

About 2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol

2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol (PubChem CID 135228965) has the molecular formula C12H23O4P and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol.

Molecular Properties

Compound Name2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol
PubChem CID135228965
Molecular FormulaC12H23O4P
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC Name2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol
SMILESCC=C1CCC(C(O)CP(=O)(OC)OC)CC1
InChIInChI=1S/C12H23O4P/c1-4-10-5-7-11(8-6-10)12(13)9-17(14,15-2)16-3/h4,11-13H,5-9H2,1-3H3/b10-4-
InChIKeyXKYATYKKOITYEG-WMZJFQQLSA-N
XLogP2.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 52.97
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 2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol?
The IUPAC name of 2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol (CID 135228965) is 2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol.
What is the SMILES notation for 2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol?
The canonical SMILES for 2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol is CC=C1CCC(C(O)CP(=O)(OC)OC)CC1.
What is the InChIKey of 2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol?
The InChIKey is XKYATYKKOITYEG-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H23O4P/c1-4-10-5-7-11(8-6-10)12(13)9-17(14,15-2)16-3/h4,11-13H,5-9H2,1-3H3/b10-4-.
What are the key properties of 2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol?
2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol has a molecular weight of 262.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethoxyphosphoryl-1-(4-ethylidenecyclohexyl)ethanol is sourced from PubChem (CID 135228965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).