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

C10H15NaO — CID 174882090

IUPACsodium;2-methylcyclopenta-1,3-diene;oxolane
SMILESC1CCOC1.CC1=[C-]CC=C1.[Na+]
InChIInChI=1S/C6H7.C4H8O.Na/c1-6-4-2-3-5-6;1-2-4-5-3-1;/h2,4H,3H2,1H3;1-4H2;/q-1;;+1
InChIKeyUHPSUXLOJQTUME-UHFFFAOYSA-N
MW174.22 g/mol
LogP-0.50
Rot. Bonds

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

sodium;2-methylcyclopenta-1,3-diene;oxolane (PubChem CID 174882090) has the molecular formula C10H15NaO and a molecular weight of 174.22 g/mol. Its IUPAC name is sodium;2-methylcyclopenta-1,3-diene;oxolane.

Molecular Properties

Compound Namesodium;2-methylcyclopenta-1,3-diene;oxolane
PubChem CID174882090
Molecular FormulaC10H15NaO
Molecular Weight174.22 g/mol
Exact Mass174.10
IUPAC Namesodium;2-methylcyclopenta-1,3-diene;oxolane
SMILESC1CCOC1.CC1=[C-]CC=C1.[Na+]
InChIInChI=1S/C6H7.C4H8O.Na/c1-6-4-2-3-5-6;1-2-4-5-3-1;/h2,4H,3H2,1H3;1-4H2;/q-1;;+1
InChIKeyUHPSUXLOJQTUME-UHFFFAOYSA-N
XLogP-0.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;2-methylcyclopenta-1,3-diene;oxolane?
The IUPAC name of sodium;2-methylcyclopenta-1,3-diene;oxolane (CID 174882090) is sodium;2-methylcyclopenta-1,3-diene;oxolane.
What is the SMILES notation for sodium;2-methylcyclopenta-1,3-diene;oxolane?
The canonical SMILES for sodium;2-methylcyclopenta-1,3-diene;oxolane is C1CCOC1.CC1=[C-]CC=C1.[Na+].
What is the InChIKey of sodium;2-methylcyclopenta-1,3-diene;oxolane?
The InChIKey is UHPSUXLOJQTUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7.C4H8O.Na/c1-6-4-2-3-5-6;1-2-4-5-3-1;/h2,4H,3H2,1H3;1-4H2;/q-1;;+1.
What are the key properties of sodium;2-methylcyclopenta-1,3-diene;oxolane?
sodium;2-methylcyclopenta-1,3-diene;oxolane has a molecular weight of 174.22 g/mol, XLogP of -0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-methylcyclopenta-1,3-diene;oxolane is sourced from PubChem (CID 174882090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).