CID 170851414

C8H23KO5P — CID 170851414

IUPAC—
SMILESCCCCCCCCO.O=P(O)(O)O.[H][H].[K]
InChIInChI=1S/C8H18O.K.H3O4P.H2/c1-2-3-4-5-6-7-8-9;;1-5(2,3)4;/h9H,2-8H2,1H3;;(H3,1,2,3,4);1H
InChIKeyXPZXEJYIMUBNTI-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.28
Rot. Bonds6

About CID 170851414

CID 170851414 (PubChem CID 170851414) has the molecular formula C8H23KO5P and a molecular weight of 269.34 g/mol.

Molecular Properties

Compound NameCID 170851414
PubChem CID170851414
Molecular FormulaC8H23KO5P
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC Name—
SMILESCCCCCCCCO.O=P(O)(O)O.[H][H].[K]
InChIInChI=1S/C8H18O.K.H3O4P.H2/c1-2-3-4-5-6-7-8-9;;1-5(2,3)4;/h9H,2-8H2,1H3;;(H3,1,2,3,4);1H
InChIKeyXPZXEJYIMUBNTI-UHFFFAOYSA-N
XLogP1.28
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.28
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

heptadecan-1-ol;phosphoric acid
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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
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 CID 170851414?
The IUPAC name of CID 170851414 (CID 170851414) is not available.
What is the SMILES notation for CID 170851414?
The canonical SMILES for CID 170851414 is CCCCCCCCO.O=P(O)(O)O.[H][H].[K].
What is the InChIKey of CID 170851414?
The InChIKey is XPZXEJYIMUBNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.K.H3O4P.H2/c1-2-3-4-5-6-7-8-9;;1-5(2,3)4;/h9H,2-8H2,1H3;;(H3,1,2,3,4);1H.
What are the key properties of CID 170851414?
CID 170851414 has a molecular weight of 269.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170851414 is sourced from PubChem (CID 170851414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).