hexadec-1-ene;phosphoric acid

C16H35O4P — CID 172734744

IUPAChexadec-1-ene;phosphoric acid
SMILESC=CCCCCCCCCCCCCCC.O=P(O)(O)O
InChIInChI=1S/C16H32.H3O4P/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-5(2,3)4/h3H,1,4-16H2,2H3;(H3,1,2,3,4)
InChIKeyIGVMNTUEYBOLAL-UHFFFAOYSA-N
MW322.43 g/mol
LogP5.34
Rot. Bonds13

About hexadec-1-ene;phosphoric acid

hexadec-1-ene;phosphoric acid (PubChem CID 172734744) has the molecular formula C16H35O4P and a molecular weight of 322.43 g/mol. Its IUPAC name is hexadec-1-ene;phosphoric acid.

Molecular Properties

Compound Namehexadec-1-ene;phosphoric acid
PubChem CID172734744
Molecular FormulaC16H35O4P
Molecular Weight322.43 g/mol
Exact Mass322.23
IUPAC Namehexadec-1-ene;phosphoric acid
SMILESC=CCCCCCCCCCCCCCC.O=P(O)(O)O
InChIInChI=1S/C16H32.H3O4P/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-5(2,3)4/h3H,1,4-16H2,2H3;(H3,1,2,3,4)
InChIKeyIGVMNTUEYBOLAL-UHFFFAOYSA-N
XLogP5.34
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.43
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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'}

Analyze hexadec-1-ene;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706
octadecane;octadec-1-ene
CID 162018238
dec-1-ene;ethene
CID 161044144
oct-1-ene;tetrahydrochloride
CID 172847494
oct-1-ene;hydrobromide
CID 88838560
dodec-1-ene;ethene
CID 158697165
acetic acid;oct-1-ene
CID 159976970
dec-1-ene;ethane-1,2-diol
CID 87306411

Frequently Asked Questions

What is the IUPAC name of hexadec-1-ene;phosphoric acid?
The IUPAC name of hexadec-1-ene;phosphoric acid (CID 172734744) is hexadec-1-ene;phosphoric acid.
What is the SMILES notation for hexadec-1-ene;phosphoric acid?
The canonical SMILES for hexadec-1-ene;phosphoric acid is C=CCCCCCCCCCCCCCC.O=P(O)(O)O.
What is the InChIKey of hexadec-1-ene;phosphoric acid?
The InChIKey is IGVMNTUEYBOLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32.H3O4P/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;1-5(2,3)4/h3H,1,4-16H2,2H3;(H3,1,2,3,4).
What are the key properties of hexadec-1-ene;phosphoric acid?
hexadec-1-ene;phosphoric acid has a molecular weight of 322.43 g/mol, XLogP of 5.34, 13 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadec-1-ene;phosphoric acid is sourced from PubChem (CID 172734744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).