sodium 2-methyl-2-phenyl-1,3-dioxolane

C10H11NaO2 — CID 175781727

IUPACsodium 2-methyl-2-phenyl-1,3-dioxolane
SMILESCC1(c2c[c-]ccc2)OCCO1.[Na+]
InChIInChI=1S/C10H11O2.Na/c1-10(11-7-8-12-10)9-5-3-2-4-6-9;/h2-3,5-6H,7-8H2,1H3;/q-1;+1
InChIKeyGSDGFGUHOOXBEQ-UHFFFAOYSA-N
MW186.19 g/mol
LogP-1.29
Rot. Bonds1

About sodium 2-methyl-2-phenyl-1,3-dioxolane

sodium 2-methyl-2-phenyl-1,3-dioxolane (PubChem CID 175781727) has the molecular formula C10H11NaO2 and a molecular weight of 186.19 g/mol. Its IUPAC name is sodium 2-methyl-2-phenyl-1,3-dioxolane.

Molecular Properties

Compound Namesodium 2-methyl-2-phenyl-1,3-dioxolane
PubChem CID175781727
Molecular FormulaC10H11NaO2
Molecular Weight186.19 g/mol
Exact Mass186.07
IUPAC Namesodium 2-methyl-2-phenyl-1,3-dioxolane
SMILESCC1(c2c[c-]ccc2)OCCO1.[Na+]
InChIInChI=1S/C10H11O2.Na/c1-10(11-7-8-12-10)9-5-3-2-4-6-9;/h2-3,5-6H,7-8H2,1H3;/q-1;+1
InChIKeyGSDGFGUHOOXBEQ-UHFFFAOYSA-N
XLogP-1.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6,6-Trimethoxy-2-prop-2-enylcyclohexa-1,3-diene
CID 163192813
(3As,7aR)-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 10986433
8-Methylene-1,4-dioxaspiro[4.5]deca-6,9-diene
CID 23437389
(3aS,7aS)-3a,7a-Dihydro-4-iodo-2,2-dimethyl-1,3-benzodioxole
CID 25111397
2-methyl-2-[(E)-2-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethenyl]-1,3-dioxolane
CID 58005043
(3aR,7aS)-2,2,4-trimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 11052017
3a,7a-dihydro-2,2-dimethyl-1,3-Benzodioxole
CID 11768761
4-(1,3-Dioxolan-2-yl)phenylmagnesium bromide, 0.5M in THF
CID 12585013
2-(2-Lithiophenyl)-1,3-dioxolane
CID 19784314
(3aS,7aS)-4-fluoro-2,2-dimethyl-3a,7a-dihydro-1,3-benzodioxole
CID 21582803
2,2-Difluoro-5-methyl-3a,7a-dihydro-1,3-benzodioxole
CID 57867960
2-(4-Fluoro-5-methylcyclohexa-1,5-dien-1-yl)-1,3-dioxolane
CID 146429651

Frequently Asked Questions

What is the IUPAC name of sodium 2-methyl-2-phenyl-1,3-dioxolane?
The IUPAC name of sodium 2-methyl-2-phenyl-1,3-dioxolane (CID 175781727) is sodium 2-methyl-2-phenyl-1,3-dioxolane.
What is the SMILES notation for sodium 2-methyl-2-phenyl-1,3-dioxolane?
The canonical SMILES for sodium 2-methyl-2-phenyl-1,3-dioxolane is CC1(c2c[c-]ccc2)OCCO1.[Na+].
What is the InChIKey of sodium 2-methyl-2-phenyl-1,3-dioxolane?
The InChIKey is GSDGFGUHOOXBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2.Na/c1-10(11-7-8-12-10)9-5-3-2-4-6-9;/h2-3,5-6H,7-8H2,1H3;/q-1;+1.
What are the key properties of sodium 2-methyl-2-phenyl-1,3-dioxolane?
sodium 2-methyl-2-phenyl-1,3-dioxolane has a molecular weight of 186.19 g/mol, XLogP of -1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methyl-2-phenyl-1,3-dioxolane is sourced from PubChem (CID 175781727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).