5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol

C8H17O4P — CID 145233520

IUPAC5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol
SMILESCOP(=O)(CCC=C(C)CO)OC
InChIInChI=1S/C8H17O4P/c1-8(7-9)5-4-6-13(10,11-2)12-3/h5,9H,4,6-7H2,1-3H3
InChIKeyYYSYSJUCUZQTME-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.80
Rot. Bonds6

About 5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol

5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol (PubChem CID 145233520) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol.

Molecular Properties

Compound Name5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol
PubChem CID145233520
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol
SMILESCOP(=O)(CCC=C(C)CO)OC
InChIInChI=1S/C8H17O4P/c1-8(7-9)5-4-6-13(10,11-2)12-3/h5,9H,4,6-7H2,1-3H3
InChIKeyYYSYSJUCUZQTME-UHFFFAOYSA-N
XLogP1.80
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.80
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 5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol?
The IUPAC name of 5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol (CID 145233520) is 5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol.
What is the SMILES notation for 5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol?
The canonical SMILES for 5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol is COP(=O)(CCC=C(C)CO)OC.
What is the InChIKey of 5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol?
The InChIKey is YYSYSJUCUZQTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-8(7-9)5-4-6-13(10,11-2)12-3/h5,9H,4,6-7H2,1-3H3.
What are the key properties of 5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol?
5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol has a molecular weight of 208.19 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethoxyphosphoryl-2-methylpent-2-en-1-ol is sourced from PubChem (CID 145233520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).