(4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid

C17H33O4P — CID 155273287

IUPAC(4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid
SMILESC=CCC(CCCCCCCCC)C(O)(CC=C)P(=O)(O)O
InChIInChI=1S/C17H33O4P/c1-4-7-8-9-10-11-12-14-16(13-5-2)17(18,15-6-3)22(19,20)21/h5-6,16,18H,2-4,7-15H2,1H3,(H2,19,20,21)
InChIKeyRSARPKAJSVSSIZ-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.76
Rot. Bonds14

About (4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid

(4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid (PubChem CID 155273287) has the molecular formula C17H33O4P and a molecular weight of 332.42 g/mol. Its IUPAC name is (4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid.

Molecular Properties

Compound Name(4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid
PubChem CID155273287
Molecular FormulaC17H33O4P
Molecular Weight332.42 g/mol
Exact Mass332.21
IUPAC Name(4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid
SMILESC=CCC(CCCCCCCCC)C(O)(CC=C)P(=O)(O)O
InChIInChI=1S/C17H33O4P/c1-4-7-8-9-10-11-12-14-16(13-5-2)17(18,15-6-3)22(19,20)21/h5-6,16,18H,2-4,7-15H2,1H3,(H2,19,20,21)
InChIKeyRSARPKAJSVSSIZ-UHFFFAOYSA-N
XLogP4.76
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid?
The IUPAC name of (4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid (CID 155273287) is (4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid.
What is the SMILES notation for (4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid?
The canonical SMILES for (4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid is C=CCC(CCCCCCCCC)C(O)(CC=C)P(=O)(O)O.
What is the InChIKey of (4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid?
The InChIKey is RSARPKAJSVSSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33O4P/c1-4-7-8-9-10-11-12-14-16(13-5-2)17(18,15-6-3)22(19,20)21/h5-6,16,18H,2-4,7-15H2,1H3,(H2,19,20,21).
What are the key properties of (4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid?
(4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid has a molecular weight of 332.42 g/mol, XLogP of 4.76, 14 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-5-prop-2-enyltetradec-1-en-4-yl)phosphonic acid is sourced from PubChem (CID 155273287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).