3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol

C11H20ClO4P — CID 10802888

IUPAC3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol
SMILESCCOP(=O)(CC1(O)C=C(Cl)CCC1)OCC
InChIInChI=1S/C11H20ClO4P/c1-3-15-17(14,16-4-2)9-11(13)7-5-6-10(12)8-11/h8,13H,3-7,9H2,1-2H3
InChIKeySDDRCCAQMFMKQW-UHFFFAOYSA-N
MW282.70 g/mol
LogP3.29
Rot. Bonds6

About 3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol

3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol (PubChem CID 10802888) has the molecular formula C11H20ClO4P and a molecular weight of 282.70 g/mol. Its IUPAC name is 3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol
PubChem CID10802888
Molecular FormulaC11H20ClO4P
Molecular Weight282.70 g/mol
Exact Mass282.08
IUPAC Name3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol
SMILESCCOP(=O)(CC1(O)C=C(Cl)CCC1)OCC
InChIInChI=1S/C11H20ClO4P/c1-3-15-17(14,16-4-2)9-11(13)7-5-6-10(12)8-11/h8,13H,3-7,9H2,1-2H3
InChIKeySDDRCCAQMFMKQW-UHFFFAOYSA-N
XLogP3.29
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol?
The IUPAC name of 3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol (CID 10802888) is 3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol is CCOP(=O)(CC1(O)C=C(Cl)CCC1)OCC.
What is the InChIKey of 3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol?
The InChIKey is SDDRCCAQMFMKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClO4P/c1-3-15-17(14,16-4-2)9-11(13)7-5-6-10(12)8-11/h8,13H,3-7,9H2,1-2H3.
What are the key properties of 3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol?
3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol has a molecular weight of 282.70 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(diethoxyphosphorylmethyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 10802888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).