benzene;decanoic acid

C16H26O2 — CID 159351150

IUPACbenzene;decanoic acid
SMILESCCCCCCCCCC(=O)O.c1ccccc1
InChIInChI=1S/C10H20O2.C6H6/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-4-6-5-3-1/h2-9H2,1H3,(H,11,12);1-6H
InChIKeyLHINGKJFLKPGSJ-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.90
Rot. Bonds8

About benzene;decanoic acid

benzene;decanoic acid (PubChem CID 159351150) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is benzene;decanoic acid.

Molecular Properties

Compound Namebenzene;decanoic acid
PubChem CID159351150
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Namebenzene;decanoic acid
SMILESCCCCCCCCCC(=O)O.c1ccccc1
InChIInChI=1S/C10H20O2.C6H6/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-4-6-5-3-1/h2-9H2,1H3,(H,11,12);1-6H
InChIKeyLHINGKJFLKPGSJ-UHFFFAOYSA-N
XLogP4.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;hexadecanoic acid
CID 162199490
henicosane;tetracontanoic acid
CID 175935348
bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
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;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912

Frequently Asked Questions

What is the IUPAC name of benzene;decanoic acid?
The IUPAC name of benzene;decanoic acid (CID 159351150) is benzene;decanoic acid.
What is the SMILES notation for benzene;decanoic acid?
The canonical SMILES for benzene;decanoic acid is CCCCCCCCCC(=O)O.c1ccccc1.
What is the InChIKey of benzene;decanoic acid?
The InChIKey is LHINGKJFLKPGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C6H6/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-4-6-5-3-1/h2-9H2,1H3,(H,11,12);1-6H.
What are the key properties of benzene;decanoic acid?
benzene;decanoic acid has a molecular weight of 250.38 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;decanoic acid is sourced from PubChem (CID 159351150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).