sodium;1,2-dimethylcyclopenta-1,3-diene;hydride

C7H11Na — CID 173341560

IUPACsodium;1,2-dimethylcyclopenta-1,3-diene;hydride
SMILESCC1=C(C)CC=C1.[H-].[Na+]
InChIInChI=1S/C7H10.Na.H/c1-6-4-3-5-7(6)2;;/h3-4H,5H2,1-2H3;;/q;+1;-1
InChIKeyYZQIBBKDXGPIAW-UHFFFAOYSA-N
MW118.15 g/mol
LogP-0.60
Rot. Bonds

About sodium;1,2-dimethylcyclopenta-1,3-diene;hydride

sodium;1,2-dimethylcyclopenta-1,3-diene;hydride (PubChem CID 173341560) has the molecular formula C7H11Na and a molecular weight of 118.15 g/mol. Its IUPAC name is sodium;1,2-dimethylcyclopenta-1,3-diene;hydride.

Molecular Properties

Compound Namesodium;1,2-dimethylcyclopenta-1,3-diene;hydride
PubChem CID173341560
Molecular FormulaC7H11Na
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Namesodium;1,2-dimethylcyclopenta-1,3-diene;hydride
SMILESCC1=C(C)CC=C1.[H-].[Na+]
InChIInChI=1S/C7H10.Na.H/c1-6-4-3-5-7(6)2;;/h3-4H,5H2,1-2H3;;/q;+1;-1
InChIKeyYZQIBBKDXGPIAW-UHFFFAOYSA-N
XLogP-0.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 158097418
1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)
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1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
CID 173322239
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CID 12500117
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846
1,2,3,4,5-pentamethyl-6-(2-methylcyclopenta-1,4-dien-1-yl)benzene
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Frequently Asked Questions

What is the IUPAC name of sodium;1,2-dimethylcyclopenta-1,3-diene;hydride?
The IUPAC name of sodium;1,2-dimethylcyclopenta-1,3-diene;hydride (CID 173341560) is sodium;1,2-dimethylcyclopenta-1,3-diene;hydride.
What is the SMILES notation for sodium;1,2-dimethylcyclopenta-1,3-diene;hydride?
The canonical SMILES for sodium;1,2-dimethylcyclopenta-1,3-diene;hydride is CC1=C(C)CC=C1.[H-].[Na+].
What is the InChIKey of sodium;1,2-dimethylcyclopenta-1,3-diene;hydride?
The InChIKey is YZQIBBKDXGPIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.Na.H/c1-6-4-3-5-7(6)2;;/h3-4H,5H2,1-2H3;;/q;+1;-1.
What are the key properties of sodium;1,2-dimethylcyclopenta-1,3-diene;hydride?
sodium;1,2-dimethylcyclopenta-1,3-diene;hydride has a molecular weight of 118.15 g/mol, XLogP of -0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,2-dimethylcyclopenta-1,3-diene;hydride is sourced from PubChem (CID 173341560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).