CID 172851421

C10H22Na3 — CID 172851421

IUPAC—
SMILESCCCCCCCCCC.[Na].[Na].[Na]
InChIInChI=1S/C10H22.3Na/c1-3-5-7-9-10-8-6-4-2;;;/h3-10H2,1-2H3;;;
InChIKeyYCTKMZAFZMXPRQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.00
Rot. Bonds7

About CID 172851421

CID 172851421 (PubChem CID 172851421) has the molecular formula C10H22Na3 and a molecular weight of 211.26 g/mol.

Molecular Properties

Compound NameCID 172851421
PubChem CID172851421
Molecular FormulaC10H22Na3
Molecular Weight211.26 g/mol
Exact Mass211.14
IUPAC Name—
SMILESCCCCCCCCCC.[Na].[Na].[Na]
InChIInChI=1S/C10H22.3Na/c1-3-5-7-9-10-8-6-4-2;;;/h3-10H2,1-2H3;;;
InChIKeyYCTKMZAFZMXPRQ-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 161216038
CID 161216038
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
decane;heptane
CID 159049036
henoctacontane
CID 22086342
CID 161246447
CID 161246447
triacontane
CID 12535
dictane
CID 19848341
dohexacontane
CID 522644
heptahectane
CID 123338944

Frequently Asked Questions

What is the IUPAC name of CID 172851421?
The IUPAC name of CID 172851421 (CID 172851421) is not available.
What is the SMILES notation for CID 172851421?
The canonical SMILES for CID 172851421 is CCCCCCCCCC.[Na].[Na].[Na].
What is the InChIKey of CID 172851421?
The InChIKey is YCTKMZAFZMXPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22.3Na/c1-3-5-7-9-10-8-6-4-2;;;/h3-10H2,1-2H3;;;.
What are the key properties of CID 172851421?
CID 172851421 has a molecular weight of 211.26 g/mol, XLogP of 3.00, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172851421 is sourced from PubChem (CID 172851421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).