phosphoric acid;1-prop-1-enoxydodecane

C15H33O5P — CID 175408861

IUPACphosphoric acid;1-prop-1-enoxydodecane
SMILESCC=COCCCCCCCCCCCC.O=P(O)(O)O
InChIInChI=1S/C15H30O.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;1-5(2,3)4/h4,14H,3,5-13,15H2,1-2H3;(H3,1,2,3,4)
InChIKeyXPGSOISFQAFPSG-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.53
Rot. Bonds12

About phosphoric acid;1-prop-1-enoxydodecane

phosphoric acid;1-prop-1-enoxydodecane (PubChem CID 175408861) has the molecular formula C15H33O5P and a molecular weight of 324.40 g/mol. Its IUPAC name is phosphoric acid;1-prop-1-enoxydodecane.

Molecular Properties

Compound Namephosphoric acid;1-prop-1-enoxydodecane
PubChem CID175408861
Molecular FormulaC15H33O5P
Molecular Weight324.40 g/mol
Exact Mass324.21
IUPAC Namephosphoric acid;1-prop-1-enoxydodecane
SMILESCC=COCCCCCCCCCCCC.O=P(O)(O)O
InChIInChI=1S/C15H30O.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;1-5(2,3)4/h4,14H,3,5-13,15H2,1-2H3;(H3,1,2,3,4)
InChIKeyXPGSOISFQAFPSG-UHFFFAOYSA-N
XLogP4.53
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-prop-1-enoxydecane
CID 54116737
1,10-bis(prop-1-enoxy)decane
CID 54271291
phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxyoctadecane
CID 173006830
phosphoric acid;1-prop-1-enoxyperoxyperoxyperoxytetradecane
CID 173006854
1-[(Z)-prop-1-enoxy]-4-[(E)-prop-1-enoxy]butane
CID 131862355
dodecane;phosphoric acid
CID 88801558
potassium;hydride;1-nonoxynonane;phosphoric acid
CID 173401675
diundecyl hydrogen phosphate;phosphoric acid
CID 87753312
2-pentoxyethenol
CID 173159715
azane;1-decoxydecane;ethanol;phosphoric acid
CID 174485868
1-octa-1,6-dienoxyoctane
CID 88510416
methane;pentadecane;phosphoric acid;hydrate
CID 173085689

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;1-prop-1-enoxydodecane?
The IUPAC name of phosphoric acid;1-prop-1-enoxydodecane (CID 175408861) is phosphoric acid;1-prop-1-enoxydodecane.
What is the SMILES notation for phosphoric acid;1-prop-1-enoxydodecane?
The canonical SMILES for phosphoric acid;1-prop-1-enoxydodecane is CC=COCCCCCCCCCCCC.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;1-prop-1-enoxydodecane?
The InChIKey is XPGSOISFQAFPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;1-5(2,3)4/h4,14H,3,5-13,15H2,1-2H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;1-prop-1-enoxydodecane?
phosphoric acid;1-prop-1-enoxydodecane has a molecular weight of 324.40 g/mol, XLogP of 4.53, 12 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;1-prop-1-enoxydodecane is sourced from PubChem (CID 175408861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).