calcium;pentane;dichloride

C5H12CaCl2 — CID 174907743

IUPACcalcium;pentane;dichloride
SMILESCCCCC.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/C5H12.Ca.2ClH/c1-3-5-4-2;;;/h3-5H2,1-2H3;;2*1H/q;+2;;/p-2
InChIKeyRDSBJZVUGKGRNM-UHFFFAOYSA-L
MW183.13 g/mol
LogP-4.18
Rot. Bonds2

About calcium;pentane;dichloride

calcium;pentane;dichloride (PubChem CID 174907743) has the molecular formula C5H12CaCl2 and a molecular weight of 183.13 g/mol. Its IUPAC name is calcium;pentane;dichloride.

Molecular Properties

Compound Namecalcium;pentane;dichloride
PubChem CID174907743
Molecular FormulaC5H12CaCl2
Molecular Weight183.13 g/mol
Exact Mass181.99
IUPAC Namecalcium;pentane;dichloride
SMILESCCCCC.[Ca+2].[Cl-].[Cl-]
InChIInChI=1S/C5H12.Ca.2ClH/c1-3-5-4-2;;;/h3-5H2,1-2H3;;2*1H/q;+2;;/p-2
InChIKeyRDSBJZVUGKGRNM-UHFFFAOYSA-L
XLogP-4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 5-4.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of calcium;pentane;dichloride?
The IUPAC name of calcium;pentane;dichloride (CID 174907743) is calcium;pentane;dichloride.
What is the SMILES notation for calcium;pentane;dichloride?
The canonical SMILES for calcium;pentane;dichloride is CCCCC.[Ca+2].[Cl-].[Cl-].
What is the InChIKey of calcium;pentane;dichloride?
The InChIKey is RDSBJZVUGKGRNM-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12.Ca.2ClH/c1-3-5-4-2;;;/h3-5H2,1-2H3;;2*1H/q;+2;;/p-2.
What are the key properties of calcium;pentane;dichloride?
calcium;pentane;dichloride has a molecular weight of 183.13 g/mol, XLogP of -4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;pentane;dichloride is sourced from PubChem (CID 174907743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).