calcium;hydride;octane

C8H20Ca — CID 173403164

IUPACcalcium;hydride;octane
SMILESCCCCCCCC.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H18.Ca.2H/c1-3-5-7-8-6-4-2;;;/h3-8H2,1-2H3;;;/q;+2;2*-1
InChIKeyNESHLKXXSPMLPW-UHFFFAOYSA-N
MW156.33 g/mol
LogP3.21
Rot. Bonds5

About calcium;hydride;octane

calcium;hydride;octane (PubChem CID 173403164) has the molecular formula C8H20Ca and a molecular weight of 156.33 g/mol. Its IUPAC name is calcium;hydride;octane.

Molecular Properties

Compound Namecalcium;hydride;octane
PubChem CID173403164
Molecular FormulaC8H20Ca
Molecular Weight156.33 g/mol
Exact Mass156.12
IUPAC Namecalcium;hydride;octane
SMILESCCCCCCCC.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H18.Ca.2H/c1-3-5-7-8-6-4-2;;;/h3-8H2,1-2H3;;;/q;+2;2*-1
InChIKeyNESHLKXXSPMLPW-UHFFFAOYSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.33
LogP ≤ 53.21
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

sodium;hydride;tridecane
CID 172995973
lithium;dodecane;hydride
CID 173115706
trilithium;hydride;icosane
CID 173415382
sodium;octakis(decane);hydride
CID 173398930
decane;heptane
CID 159049036
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700
bis(decane);hexane
CID 158666782
hexane;molybdenum
CID 162092649
henoctacontane
CID 22086342

Frequently Asked Questions

What is the IUPAC name of calcium;hydride;octane?
The IUPAC name of calcium;hydride;octane (CID 173403164) is calcium;hydride;octane.
What is the SMILES notation for calcium;hydride;octane?
The canonical SMILES for calcium;hydride;octane is CCCCCCCC.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;octane?
The InChIKey is NESHLKXXSPMLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.Ca.2H/c1-3-5-7-8-6-4-2;;;/h3-8H2,1-2H3;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;octane?
calcium;hydride;octane has a molecular weight of 156.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;octane is sourced from PubChem (CID 173403164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).