4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid

C10H22O6S — CID 86745940

IUPAC4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid
SMILESCC(C)(CCO)CC1OCCO1.CS(=O)(=O)O
InChIInChI=1S/C9H18O3.CH4O3S/c1-9(2,3-4-10)7-8-11-5-6-12-8;1-5(2,3)4/h8,10H,3-7H2,1-2H3;1H3,(H,2,3,4)
InChIKeyRARBDMMIWYDHRQ-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.66
Rot. Bonds4

About 4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid

4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid (PubChem CID 86745940) has the molecular formula C10H22O6S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid
PubChem CID86745940
Molecular FormulaC10H22O6S
Molecular Weight270.35 g/mol
Exact Mass270.11
IUPAC Name4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid
SMILESCC(C)(CCO)CC1OCCO1.CS(=O)(=O)O
InChIInChI=1S/C9H18O3.CH4O3S/c1-9(2,3-4-10)7-8-11-5-6-12-8;1-5(2,3)4/h8,10H,3-7H2,1-2H3;1H3,(H,2,3,4)
InChIKeyRARBDMMIWYDHRQ-UHFFFAOYSA-N
XLogP0.66
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid (CID 86745940) is 4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid is CC(C)(CCO)CC1OCCO1.CS(=O)(=O)O.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid?
The InChIKey is RARBDMMIWYDHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3.CH4O3S/c1-9(2,3-4-10)7-8-11-5-6-12-8;1-5(2,3)4/h8,10H,3-7H2,1-2H3;1H3,(H,2,3,4).
What are the key properties of 4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid?
4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid has a molecular weight of 270.35 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-3,3-dimethylbutan-1-ol;methanesulfonic acid is sourced from PubChem (CID 86745940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).