2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol

C7H15O3P — CID 87383772

IUPAC2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol
SMILESC/C=C\P(=O)(CC)OCCO
InChIInChI=1S/C7H15O3P/c1-3-7-11(9,4-2)10-6-5-8/h3,7-8H,4-6H2,1-2H3/b7-3-
InChIKeyMVPKXYONNYGPOF-CLTKARDFSA-N
MW178.17 g/mol
LogP1.83
Rot. Bonds5

About 2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol

2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol (PubChem CID 87383772) has the molecular formula C7H15O3P and a molecular weight of 178.17 g/mol. Its IUPAC name is 2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol.

Molecular Properties

Compound Name2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol
PubChem CID87383772
Molecular FormulaC7H15O3P
Molecular Weight178.17 g/mol
Exact Mass178.08
IUPAC Name2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol
SMILESC/C=C\P(=O)(CC)OCCO
InChIInChI=1S/C7H15O3P/c1-3-7-11(9,4-2)10-6-5-8/h3,7-8H,4-6H2,1-2H3/b7-3-
InChIKeyMVPKXYONNYGPOF-CLTKARDFSA-N
XLogP1.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[ethoxy(ethyl)phosphoryl]prop-2-enoic acid
CID 124705771
1-[ethoxy(ethyl)phosphoryl]but-1-ene
CID 91043072
ethyl-[(Z)-prop-1-enyl]phosphinic acid;titanium
CID 87383793
2-hydroxyethyl dihydrogen phosphate;phosphoric acid
CID 155226574
2-hydroxyethyl ditridecyl phosphate
CID 86141691
2-hydroxyethoxy-N-methylphosphonamidic acid
CID 123741981
N-[2-hydroxyethoxy(methoxy)phosphoryl]propanamide
CID 169488837
dicalcium;hydride;2-hydroxyethyl dihydrogen phosphate
CID 174231614
ethene;2-hydroxyethyl dihydrogen phosphate
CID 173023199
decyl 2-hydroxyethyl propyl phosphate
CID 151935129
[[(E)-prop-1-enyl]-(propoxycarbonyloxymethoxy)phosphoryl]oxymethyl propyl carbonate
CID 90905920
azane;hexadecyl 2-hydroxyethyl hydrogen phosphate
CID 173341052

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol?
The IUPAC name of 2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol (CID 87383772) is 2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol.
What is the SMILES notation for 2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol?
The canonical SMILES for 2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol is C/C=C\P(=O)(CC)OCCO.
What is the InChIKey of 2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol?
The InChIKey is MVPKXYONNYGPOF-CLTKARDFSA-N. The full InChI is InChI=1S/C7H15O3P/c1-3-7-11(9,4-2)10-6-5-8/h3,7-8H,4-6H2,1-2H3/b7-3-.
What are the key properties of 2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol?
2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol has a molecular weight of 178.17 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(Z)-prop-1-enyl]phosphoryl]oxyethanol is sourced from PubChem (CID 87383772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).