3-phosphanyl-2-prop-2-enoxypropan-1-ol

C6H13O2P — CID 118258288

IUPAC3-phosphanyl-2-prop-2-enoxypropan-1-ol
SMILESC=CCOC(CO)CP
InChIInChI=1S/C6H13O2P/c1-2-3-8-6(4-7)5-9/h2,6-7H,1,3-5,9H2
InChIKeyIPUVIIQFVQXSAQ-UHFFFAOYSA-N
MW148.14 g/mol
LogP0.43
Rot. Bonds5

About 3-phosphanyl-2-prop-2-enoxypropan-1-ol

3-phosphanyl-2-prop-2-enoxypropan-1-ol (PubChem CID 118258288) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is 3-phosphanyl-2-prop-2-enoxypropan-1-ol.

Molecular Properties

Compound Name3-phosphanyl-2-prop-2-enoxypropan-1-ol
PubChem CID118258288
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Name3-phosphanyl-2-prop-2-enoxypropan-1-ol
SMILESC=CCOC(CO)CP
InChIInChI=1S/C6H13O2P/c1-2-3-8-6(4-7)5-9/h2,6-7H,1,3-5,9H2
InChIKeyIPUVIIQFVQXSAQ-UHFFFAOYSA-N
XLogP0.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-phosphanyl-2-prop-2-enoxypropan-1-ol?
The IUPAC name of 3-phosphanyl-2-prop-2-enoxypropan-1-ol (CID 118258288) is 3-phosphanyl-2-prop-2-enoxypropan-1-ol.
What is the SMILES notation for 3-phosphanyl-2-prop-2-enoxypropan-1-ol?
The canonical SMILES for 3-phosphanyl-2-prop-2-enoxypropan-1-ol is C=CCOC(CO)CP.
What is the InChIKey of 3-phosphanyl-2-prop-2-enoxypropan-1-ol?
The InChIKey is IPUVIIQFVQXSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2P/c1-2-3-8-6(4-7)5-9/h2,6-7H,1,3-5,9H2.
What are the key properties of 3-phosphanyl-2-prop-2-enoxypropan-1-ol?
3-phosphanyl-2-prop-2-enoxypropan-1-ol has a molecular weight of 148.14 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanyl-2-prop-2-enoxypropan-1-ol is sourced from PubChem (CID 118258288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).