1-chloropentane;tetracosanoic acid

C29H59ClO2 — CID 174847534

IUPAC1-chloropentane;tetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCl
InChIInChI=1S/C24H48O2.C5H11Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;1-2-3-4-5-6/h2-23H2,1H3,(H,25,26);2-5H2,1H3
InChIKeyCFIBZLYLLAMARE-UHFFFAOYSA-N
MW475.24 g/mol
LogP11.09
Rot. Bonds25

About 1-chloropentane;tetracosanoic acid

1-chloropentane;tetracosanoic acid (PubChem CID 174847534) has the molecular formula C29H59ClO2 and a molecular weight of 475.24 g/mol. Its IUPAC name is 1-chloropentane;tetracosanoic acid.

Molecular Properties

Compound Name1-chloropentane;tetracosanoic acid
PubChem CID174847534
Molecular FormulaC29H59ClO2
Molecular Weight475.24 g/mol
Exact Mass474.42
IUPAC Name1-chloropentane;tetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCl
InChIInChI=1S/C24H48O2.C5H11Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;1-2-3-4-5-6/h2-23H2,1H3,(H,25,26);2-5H2,1H3
InChIKeyCFIBZLYLLAMARE-UHFFFAOYSA-N
XLogP11.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.24
LogP ≤ 511.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloropentane;decanoic acid
CID 174719935
decanoic acid;dichloromethane
CID 158392247
CID 87141410
CID 87141410
chloromethane;11-chloroundecanoic acid
CID 162366476
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;dodecane
CID 159822517
dodecanoic acid
CID 158803546
decanoic acid;pentadecanoic acid
CID 157343657
(813C)octadecanoic acid
CID 171379166
decanedioic acid;docosane
CID 158450687

Frequently Asked Questions

What is the IUPAC name of 1-chloropentane;tetracosanoic acid?
The IUPAC name of 1-chloropentane;tetracosanoic acid (CID 174847534) is 1-chloropentane;tetracosanoic acid.
What is the SMILES notation for 1-chloropentane;tetracosanoic acid?
The canonical SMILES for 1-chloropentane;tetracosanoic acid is CCCCCCCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCl.
What is the InChIKey of 1-chloropentane;tetracosanoic acid?
The InChIKey is CFIBZLYLLAMARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O2.C5H11Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;1-2-3-4-5-6/h2-23H2,1H3,(H,25,26);2-5H2,1H3.
What are the key properties of 1-chloropentane;tetracosanoic acid?
1-chloropentane;tetracosanoic acid has a molecular weight of 475.24 g/mol, XLogP of 11.09, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentane;tetracosanoic acid is sourced from PubChem (CID 174847534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).