CID 131882023

C18H36KO3P+ — CID 131882023

IUPAC—
SMILESCCCCCCCC/C=C\CCCCCCCCO[P+](=O)O.[K]
InChIInChI=1S/C18H35O3P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20;/h9-10H,2-8,11-18H2,1H3;/p+1/b10-9-;
InChIKeyADPDRBDYQPCFNZ-KVVVOXFISA-O
MW370.56 g/mol
LogP6.31
Rot. Bonds17

About CID 131882023

CID 131882023 (PubChem CID 131882023) has the molecular formula C18H36KO3P+ and a molecular weight of 370.56 g/mol.

Molecular Properties

Compound NameCID 131882023
PubChem CID131882023
Molecular FormulaC18H36KO3P+
Molecular Weight370.56 g/mol
Exact Mass370.20
IUPAC Name—
SMILESCCCCCCCC/C=C\CCCCCCCCO[P+](=O)O.[K]
InChIInChI=1S/C18H35O3P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20;/h9-10H,2-8,11-18H2,1H3;/p+1/b10-9-;
InChIKeyADPDRBDYQPCFNZ-KVVVOXFISA-O
XLogP6.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

hydride;hydroxy-oxo-pentoxyphosphanium;rubidium(1+)
CID 173073813
carbonic acid;(Z)-octadec-9-ene
CID 87599003
dihydroxy(oxo)phosphanium;octadec-9-enylazanium
CID 57351234
bis[(E)-octadec-9-enyl] carbonate
CID 22342299
chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium
CID 87139944
oxo-bis[[oxo(tridec-3-enoxy)phosphaniumyl]oxy]phosphanium
CID 90695388
(Z)-tricos-11-ene
CID 5356790
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of CID 131882023?
The IUPAC name of CID 131882023 (CID 131882023) is not available.
What is the SMILES notation for CID 131882023?
The canonical SMILES for CID 131882023 is CCCCCCCC/C=C\CCCCCCCCO[P+](=O)O.[K].
What is the InChIKey of CID 131882023?
The InChIKey is ADPDRBDYQPCFNZ-KVVVOXFISA-O. The full InChI is InChI=1S/C18H35O3P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20;/h9-10H,2-8,11-18H2,1H3;/p+1/b10-9-;.
What are the key properties of CID 131882023?
CID 131882023 has a molecular weight of 370.56 g/mol, XLogP of 6.31, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131882023 is sourced from PubChem (CID 131882023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).