octadecan-1-ol;phosphoric acid;zinc

C18H41O5PZn — CID 175122102

IUPACoctadecan-1-ol;phosphoric acid;zinc
SMILESCCCCCCCCCCCCCCCCCCO.O=P(O)(O)O.[Zn]
InChIInChI=1S/C18H38O.H3O4P.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4;/h19H,2-18H2,1H3;(H3,1,2,3,4);
InChIKeyDHCVQGBQYJBFRN-UHFFFAOYSA-N
MW433.89 g/mol
LogP5.31
Rot. Bonds16

About octadecan-1-ol;phosphoric acid;zinc

octadecan-1-ol;phosphoric acid;zinc (PubChem CID 175122102) has the molecular formula C18H41O5PZn and a molecular weight of 433.89 g/mol. Its IUPAC name is octadecan-1-ol;phosphoric acid;zinc.

Molecular Properties

Compound Nameoctadecan-1-ol;phosphoric acid;zinc
PubChem CID175122102
Molecular FormulaC18H41O5PZn
Molecular Weight433.89 g/mol
Exact Mass432.20
IUPAC Nameoctadecan-1-ol;phosphoric acid;zinc
SMILESCCCCCCCCCCCCCCCCCCO.O=P(O)(O)O.[Zn]
InChIInChI=1S/C18H38O.H3O4P.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4;/h19H,2-18H2,1H3;(H3,1,2,3,4);
InChIKeyDHCVQGBQYJBFRN-UHFFFAOYSA-N
XLogP5.31
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.89
LogP ≤ 55.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptadecan-1-ol;phosphoric acid
CID 174616506
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
octakis(octan-1-ol);zinc
CID 175851316
(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

Frequently Asked Questions

What is the IUPAC name of octadecan-1-ol;phosphoric acid;zinc?
The IUPAC name of octadecan-1-ol;phosphoric acid;zinc (CID 175122102) is octadecan-1-ol;phosphoric acid;zinc.
What is the SMILES notation for octadecan-1-ol;phosphoric acid;zinc?
The canonical SMILES for octadecan-1-ol;phosphoric acid;zinc is CCCCCCCCCCCCCCCCCCO.O=P(O)(O)O.[Zn].
What is the InChIKey of octadecan-1-ol;phosphoric acid;zinc?
The InChIKey is DHCVQGBQYJBFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O.H3O4P.Zn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4;/h19H,2-18H2,1H3;(H3,1,2,3,4);.
What are the key properties of octadecan-1-ol;phosphoric acid;zinc?
octadecan-1-ol;phosphoric acid;zinc has a molecular weight of 433.89 g/mol, XLogP of 5.31, 16 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-1-ol;phosphoric acid;zinc is sourced from PubChem (CID 175122102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).