calcium;benzene;hydride

C6H8Ca — CID 173030401

IUPACcalcium;benzene;hydride
SMILES[Ca+2].[H-].[H-].c1ccccc1
InChIInChI=1S/C6H6.Ca.2H/c1-2-4-6-5-3-1;;;/h1-6H;;;/q;+2;2*-1
InChIKeyNSYTYPCYNZFYST-UHFFFAOYSA-N
MW120.21 g/mol
LogP1.53
Rot. Bonds

About calcium;benzene;hydride

calcium;benzene;hydride (PubChem CID 173030401) has the molecular formula C6H8Ca and a molecular weight of 120.21 g/mol. Its IUPAC name is calcium;benzene;hydride.

Molecular Properties

Compound Namecalcium;benzene;hydride
PubChem CID173030401
Molecular FormulaC6H8Ca
Molecular Weight120.21 g/mol
Exact Mass120.03
IUPAC Namecalcium;benzene;hydride
SMILES[Ca+2].[H-].[H-].c1ccccc1
InChIInChI=1S/C6H6.Ca.2H/c1-2-4-6-5-3-1;;;/h1-6H;;;/q;+2;2*-1
InChIKeyNSYTYPCYNZFYST-UHFFFAOYSA-N
XLogP1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 174489933
benzene;molybdenum
CID 11184302
benzene
CID 21262180
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CID 172821629
sodium;benzene;hydride;dihydrochloride
CID 174638485
potassium;azane;benzene;hydride
CID 174686684
calcium;benzene;hydride;phosphoric acid
CID 175005708
calcium;borinine;hydride
CID 174144693
calcium;benzene;hydride
CID 135050646
CID 158922547
CID 158922547
benzene;osmium
CID 174818605
azane;benzene
CID 67859568

Frequently Asked Questions

What is the IUPAC name of calcium;benzene;hydride?
The IUPAC name of calcium;benzene;hydride (CID 173030401) is calcium;benzene;hydride.
What is the SMILES notation for calcium;benzene;hydride?
The canonical SMILES for calcium;benzene;hydride is [Ca+2].[H-].[H-].c1ccccc1.
What is the InChIKey of calcium;benzene;hydride?
The InChIKey is NSYTYPCYNZFYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.Ca.2H/c1-2-4-6-5-3-1;;;/h1-6H;;;/q;+2;2*-1.
What are the key properties of calcium;benzene;hydride?
calcium;benzene;hydride has a molecular weight of 120.21 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;benzene;hydride is sourced from PubChem (CID 173030401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).