CID 87129001

C10H20O2Sr — CID 87129001

IUPAC—
SMILESCCCCCCCCCC(=O)O.[Sr]
InChIInChI=1S/C10H20O2.Sr/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);
InChIKeyWMVADPVIGVDWMM-UHFFFAOYSA-N
MW259.89 g/mol
LogP2.83
Rot. Bonds8

About CID 87129001

CID 87129001 (PubChem CID 87129001) has the molecular formula C10H20O2Sr and a molecular weight of 259.89 g/mol.

Molecular Properties

Compound NameCID 87129001
PubChem CID87129001
Molecular FormulaC10H20O2Sr
Molecular Weight259.89 g/mol
Exact Mass260.05
IUPAC Name—
SMILESCCCCCCCCCC(=O)O.[Sr]
InChIInChI=1S/C10H20O2.Sr/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);
InChIKeyWMVADPVIGVDWMM-UHFFFAOYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.89
LogP ≤ 52.83
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

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
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
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of CID 87129001?
The IUPAC name of CID 87129001 (CID 87129001) is not available.
What is the SMILES notation for CID 87129001?
The canonical SMILES for CID 87129001 is CCCCCCCCCC(=O)O.[Sr].
What is the InChIKey of CID 87129001?
The InChIKey is WMVADPVIGVDWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Sr/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);.
What are the key properties of CID 87129001?
CID 87129001 has a molecular weight of 259.89 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87129001 is sourced from PubChem (CID 87129001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).