calcium;hydride;3-methylheptane

C8H20Ca — CID 174879723

IUPACcalcium;hydride;3-methylheptane
SMILESCCCCC(C)CC.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H18.Ca.2H/c1-4-6-7-8(3)5-2;;;/h8H,4-7H2,1-3H3;;;/q;+2;2*-1
InChIKeyUDXSKGBZEHBUMH-UHFFFAOYSA-N
MW156.33 g/mol
LogP3.07
Rot. Bonds4

About calcium;hydride;3-methylheptane

calcium;hydride;3-methylheptane (PubChem CID 174879723) has the molecular formula C8H20Ca and a molecular weight of 156.33 g/mol. Its IUPAC name is calcium;hydride;3-methylheptane.

Molecular Properties

Compound Namecalcium;hydride;3-methylheptane
PubChem CID174879723
Molecular FormulaC8H20Ca
Molecular Weight156.33 g/mol
Exact Mass156.12
IUPAC Namecalcium;hydride;3-methylheptane
SMILESCCCCC(C)CC.[Ca+2].[H-].[H-]
InChIInChI=1S/C8H18.Ca.2H/c1-4-6-7-8(3)5-2;;;/h8H,4-7H2,1-3H3;;;/q;+2;2*-1
InChIKeyUDXSKGBZEHBUMH-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 54105230
3-methylheptane;2-methylpentane
CID 165405793
(Z)-but-2-ene;3-methylheptane
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Frequently Asked Questions

What is the IUPAC name of calcium;hydride;3-methylheptane?
The IUPAC name of calcium;hydride;3-methylheptane (CID 174879723) is calcium;hydride;3-methylheptane.
What is the SMILES notation for calcium;hydride;3-methylheptane?
The canonical SMILES for calcium;hydride;3-methylheptane is CCCCC(C)CC.[Ca+2].[H-].[H-].
What is the InChIKey of calcium;hydride;3-methylheptane?
The InChIKey is UDXSKGBZEHBUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.Ca.2H/c1-4-6-7-8(3)5-2;;;/h8H,4-7H2,1-3H3;;;/q;+2;2*-1.
What are the key properties of calcium;hydride;3-methylheptane?
calcium;hydride;3-methylheptane has a molecular weight of 156.33 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydride;3-methylheptane is sourced from PubChem (CID 174879723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).