sodium 2-pentylcyclopenta-1,3-diene

C10H15Na — CID 173389427

IUPACsodium 2-pentylcyclopenta-1,3-diene
SMILESCCCCCC1=[C-]CC=C1.[Na+]
InChIInChI=1S/C10H15.Na/c1-2-3-4-7-10-8-5-6-9-10;/h5,8H,2-4,6-7H2,1H3;/q-1;+1
InChIKeySPSSLXGBJQLGNW-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.26
Rot. Bonds4

About sodium 2-pentylcyclopenta-1,3-diene

sodium 2-pentylcyclopenta-1,3-diene (PubChem CID 173389427) has the molecular formula C10H15Na and a molecular weight of 158.22 g/mol. Its IUPAC name is sodium 2-pentylcyclopenta-1,3-diene.

Molecular Properties

Compound Namesodium 2-pentylcyclopenta-1,3-diene
PubChem CID173389427
Molecular FormulaC10H15Na
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Namesodium 2-pentylcyclopenta-1,3-diene
SMILESCCCCCC1=[C-]CC=C1.[Na+]
InChIInChI=1S/C10H15.Na/c1-2-3-4-7-10-8-5-6-9-10;/h5,8H,2-4,6-7H2,1H3;/q-1;+1
InChIKeySPSSLXGBJQLGNW-UHFFFAOYSA-N
XLogP0.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

manganese;2-pentylcyclopenta-1,3-diene
CID 174921079
tetrakis(2-pentylcyclopenta-1,3-diene);bis(zirconium(2+));dichloride
CID 22311232
hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride
CID 22325444
bis(2-heptylcyclopenta-1,3-diene);iron(2+)
CID 20531351
bis(2-hexylcyclopenta-1,3-diene);zirconium(4+);dichloride
CID 87133265
bis(2-butylcyclopenta-1,3-diene);hydride;titanium(4+)
CID 22023571
bis(2-butylcyclopenta-1,3-diene);titanium(4+);dichloride
CID 53471296
2-butylcyclopenta-1,3-diene;hafnium;dibromide
CID 174700616
2-butylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 87550907
bis(2-butylcyclopenta-1,3-diene);hafnium(4+);difluoride
CID 22323867
sodium;2-hexylcyclopenta-1,3-diene;oxolane
CID 175411309
CID 172996603
CID 172996603

Frequently Asked Questions

What is the IUPAC name of sodium 2-pentylcyclopenta-1,3-diene?
The IUPAC name of sodium 2-pentylcyclopenta-1,3-diene (CID 173389427) is sodium 2-pentylcyclopenta-1,3-diene.
What is the SMILES notation for sodium 2-pentylcyclopenta-1,3-diene?
The canonical SMILES for sodium 2-pentylcyclopenta-1,3-diene is CCCCCC1=[C-]CC=C1.[Na+].
What is the InChIKey of sodium 2-pentylcyclopenta-1,3-diene?
The InChIKey is SPSSLXGBJQLGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.Na/c1-2-3-4-7-10-8-5-6-9-10;/h5,8H,2-4,6-7H2,1H3;/q-1;+1.
What are the key properties of sodium 2-pentylcyclopenta-1,3-diene?
sodium 2-pentylcyclopenta-1,3-diene has a molecular weight of 158.22 g/mol, XLogP of 0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-pentylcyclopenta-1,3-diene is sourced from PubChem (CID 173389427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).