2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane

C11H22O2 — CID 90807510

IUPAC2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane
SMILESCC(C)CCC(C)C1(C)OCCO1
InChIInChI=1S/C11H22O2/c1-9(2)5-6-10(3)11(4)12-7-8-13-11/h9-10H,5-8H2,1-4H3
InChIKeyQGYGUADGXLPMED-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane

2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane (PubChem CID 90807510) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane
PubChem CID90807510
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane
SMILESCC(C)CCC(C)C1(C)OCCO1
InChIInChI=1S/C11H22O2/c1-9(2)5-6-10(3)11(4)12-7-8-13-11/h9-10H,5-8H2,1-4H3
InChIKeyQGYGUADGXLPMED-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane?
The IUPAC name of 2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane (CID 90807510) is 2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane is CC(C)CCC(C)C1(C)OCCO1.
What is the InChIKey of 2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane?
The InChIKey is QGYGUADGXLPMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-9(2)5-6-10(3)11(4)12-7-8-13-11/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane?
2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane has a molecular weight of 186.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-methylhexan-2-yl)-1,3-dioxolane is sourced from PubChem (CID 90807510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).