heptadecan-1-ol;phosphoric acid

C17H39O5P — CID 174616506

IUPACheptadecan-1-ol;phosphoric acid
SMILESCCCCCCCCCCCCCCCCCO.O=P(O)(O)O
InChIInChI=1S/C17H36O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-5(2,3)4/h18H,2-17H2,1H3;(H3,1,2,3,4)
InChIKeyFSLHAOQKNBPPSQ-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.92
Rot. Bonds15

About heptadecan-1-ol;phosphoric acid

heptadecan-1-ol;phosphoric acid (PubChem CID 174616506) has the molecular formula C17H39O5P and a molecular weight of 354.47 g/mol. Its IUPAC name is heptadecan-1-ol;phosphoric acid.

Molecular Properties

Compound Nameheptadecan-1-ol;phosphoric acid
PubChem CID174616506
Molecular FormulaC17H39O5P
Molecular Weight354.47 g/mol
Exact Mass354.25
IUPAC Nameheptadecan-1-ol;phosphoric acid
SMILESCCCCCCCCCCCCCCCCCO.O=P(O)(O)O
InChIInChI=1S/C17H36O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-5(2,3)4/h18H,2-17H2,1H3;(H3,1,2,3,4)
InChIKeyFSLHAOQKNBPPSQ-UHFFFAOYSA-N
XLogP4.92
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

octadecan-1-ol;phosphoric acid;zinc
CID 175122102
phosphoric acid;silane;tridecan-1-ol
CID 174860606
sodium;dodecan-1-ol;hydride;phosphoric acid
CID 173189206
calcium;hydride;phosphoric acid;triacontan-1-ol
CID 175292657
CID 170851414
CID 170851414
aminophosphonic acid;dodecan-1-ol
CID 174506019
dodecane;phosphoric acid
CID 88801558
(E)-octadec-9-en-1-ol;phosphoric acid
CID 18003832
trisodium;octadecan-1-ol;phosphate
CID 173304985
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
hexan-1-ol;nonane
CID 175106830

Frequently Asked Questions

What is the IUPAC name of heptadecan-1-ol;phosphoric acid?
The IUPAC name of heptadecan-1-ol;phosphoric acid (CID 174616506) is heptadecan-1-ol;phosphoric acid.
What is the SMILES notation for heptadecan-1-ol;phosphoric acid?
The canonical SMILES for heptadecan-1-ol;phosphoric acid is CCCCCCCCCCCCCCCCCO.O=P(O)(O)O.
What is the InChIKey of heptadecan-1-ol;phosphoric acid?
The InChIKey is FSLHAOQKNBPPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18;1-5(2,3)4/h18H,2-17H2,1H3;(H3,1,2,3,4).
What are the key properties of heptadecan-1-ol;phosphoric acid?
heptadecan-1-ol;phosphoric acid has a molecular weight of 354.47 g/mol, XLogP of 4.92, 15 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecan-1-ol;phosphoric acid is sourced from PubChem (CID 174616506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).