CID 170844575

C18H32K2O4 — CID 170844575

IUPAC—
SMILESCCCCCCCCCCCC=CCC(CC(=O)O)C(=O)O.[K].[K]
InChIInChI=1S/C18H32O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(21)22)15-17(19)20;;/h12-13,16H,2-11,14-15H2,1H3,(H,19,20)(H,21,22);;
InChIKeyNUUHVODAOQCXTP-UHFFFAOYSA-N
MW390.65 g/mol
LogP4.27
Rot. Bonds15

About CID 170844575

CID 170844575 (PubChem CID 170844575) has the molecular formula C18H32K2O4 and a molecular weight of 390.65 g/mol.

Molecular Properties

Compound NameCID 170844575
PubChem CID170844575
Molecular FormulaC18H32K2O4
Molecular Weight390.65 g/mol
Exact Mass390.16
IUPAC Name—
SMILESCCCCCCCCCCCC=CCC(CC(=O)O)C(=O)O.[K].[K]
InChIInChI=1S/C18H32O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(21)22)15-17(19)20;;/h12-13,16H,2-11,14-15H2,1H3,(H,19,20)(H,21,22);;
InChIKeyNUUHVODAOQCXTP-UHFFFAOYSA-N
XLogP4.27
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.65
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[(E)-hexadec-2-enyl]butanedioic acid
CID 98067241
2-[(2E,9E)-hexadeca-2,9-dienyl]butanedioic acid
CID 101278130
2-pentacos-2-enylbutanedioic acid
CID 139984745
2-pentadec-2-enylbutanedioic acid
CID 54072439
2-[(2E,12E)-hexadeca-2,12-dienyl]butanedioic acid
CID 101278133
2-[(2E,4E)-undeca-2,4-dienyl]butanedioic acid
CID 101278080
2-[(2E,12E)-tetradeca-2,12-dienyl]butanedioic acid
CID 101278112
2-dodec-6-enylbutanedioic acid
CID 174779156
2-[(E)-dodec-5-enyl]butanedioic acid
CID 101277904
2-oct-2-enyldec-4-enedioic acid
CID 123647118
(Z)-3-(diethylcarbamoyl)dodec-5-enoic acid
CID 177410422
2-(2-octadec-1-enoxy-2-oxoethyl)icos-4-enoic acid
CID 74935001

Frequently Asked Questions

What is the IUPAC name of CID 170844575?
The IUPAC name of CID 170844575 (CID 170844575) is not available.
What is the SMILES notation for CID 170844575?
The canonical SMILES for CID 170844575 is CCCCCCCCCCCC=CCC(CC(=O)O)C(=O)O.[K].[K].
What is the InChIKey of CID 170844575?
The InChIKey is NUUHVODAOQCXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O4.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18(21)22)15-17(19)20;;/h12-13,16H,2-11,14-15H2,1H3,(H,19,20)(H,21,22);;.
What are the key properties of CID 170844575?
CID 170844575 has a molecular weight of 390.65 g/mol, XLogP of 4.27, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 170844575 is sourced from PubChem (CID 170844575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).