sodium;2-hexylcyclopenta-1,3-diene;oxolane

C15H25NaO — CID 175411309

IUPACsodium;2-hexylcyclopenta-1,3-diene;oxolane
SMILESC1CCOC1.CCCCCCC1=[C-]CC=C1.[Na+]
InChIInChI=1S/C11H17.C4H8O.Na/c1-2-3-4-5-8-11-9-6-7-10-11;1-2-4-5-3-1;/h6,9H,2-5,7-8H2,1H3;1-4H2;/q-1;;+1
InChIKeyRYSICTVVKZFJRM-UHFFFAOYSA-N
MW244.35 g/mol
LogP1.45
Rot. Bonds5

About sodium;2-hexylcyclopenta-1,3-diene;oxolane

sodium;2-hexylcyclopenta-1,3-diene;oxolane (PubChem CID 175411309) has the molecular formula C15H25NaO and a molecular weight of 244.35 g/mol. Its IUPAC name is sodium;2-hexylcyclopenta-1,3-diene;oxolane.

Molecular Properties

Compound Namesodium;2-hexylcyclopenta-1,3-diene;oxolane
PubChem CID175411309
Molecular FormulaC15H25NaO
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Namesodium;2-hexylcyclopenta-1,3-diene;oxolane
SMILESC1CCOC1.CCCCCCC1=[C-]CC=C1.[Na+]
InChIInChI=1S/C11H17.C4H8O.Na/c1-2-3-4-5-8-11-9-6-7-10-11;1-2-4-5-3-1;/h6,9H,2-5,7-8H2,1H3;1-4H2;/q-1;;+1
InChIKeyRYSICTVVKZFJRM-UHFFFAOYSA-N
XLogP1.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

sodium 2-pentylcyclopenta-1,3-diene
CID 173389427
bis(2-heptylcyclopenta-1,3-diene);iron(2+)
CID 20531351
bis(2-hexylcyclopenta-1,3-diene);zirconium(4+);dichloride
CID 87133265
manganese;2-pentylcyclopenta-1,3-diene
CID 174921079
hafnium(4+);bis(2-pentylcyclopenta-1,3-diene);dichloride
CID 22325444
tetrakis(2-pentylcyclopenta-1,3-diene);bis(zirconium(2+));dichloride
CID 22311232
bis(2-butylcyclopenta-1,3-diene);hydride;titanium(4+)
CID 22023571
2-butylcyclopenta-1,3-diene;hafnium;dibromide
CID 174700616
bis(2-butylcyclopenta-1,3-diene);titanium(4+);dichloride
CID 53471296
2-butylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 87550907
bis(2-butylcyclopenta-1,3-diene);hafnium(4+);difluoride
CID 22323867
CID 172996603
CID 172996603

Frequently Asked Questions

What is the IUPAC name of sodium;2-hexylcyclopenta-1,3-diene;oxolane?
The IUPAC name of sodium;2-hexylcyclopenta-1,3-diene;oxolane (CID 175411309) is sodium;2-hexylcyclopenta-1,3-diene;oxolane.
What is the SMILES notation for sodium;2-hexylcyclopenta-1,3-diene;oxolane?
The canonical SMILES for sodium;2-hexylcyclopenta-1,3-diene;oxolane is C1CCOC1.CCCCCCC1=[C-]CC=C1.[Na+].
What is the InChIKey of sodium;2-hexylcyclopenta-1,3-diene;oxolane?
The InChIKey is RYSICTVVKZFJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17.C4H8O.Na/c1-2-3-4-5-8-11-9-6-7-10-11;1-2-4-5-3-1;/h6,9H,2-5,7-8H2,1H3;1-4H2;/q-1;;+1.
What are the key properties of sodium;2-hexylcyclopenta-1,3-diene;oxolane?
sodium;2-hexylcyclopenta-1,3-diene;oxolane has a molecular weight of 244.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hexylcyclopenta-1,3-diene;oxolane is sourced from PubChem (CID 175411309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).