ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane

C11H24O2 — CID 164919017

IUPACethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane
SMILESCC.CC.CC12COCC(CO1)C2
InChIInChI=1S/C7H12O2.2C2H6/c1-7-2-6(4-9-7)3-8-5-7;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyRGCANAHMQRRQFM-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.86
Rot. Bonds

About ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane

ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane (PubChem CID 164919017) has the molecular formula C11H24O2 and a molecular weight of 188.31 g/mol. Its IUPAC name is ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane
PubChem CID164919017
Molecular FormulaC11H24O2
Molecular Weight188.31 g/mol
Exact Mass188.18
IUPAC Nameethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane
SMILESCC.CC.CC12COCC(CO1)C2
InChIInChI=1S/C7H12O2.2C2H6/c1-7-2-6(4-9-7)3-8-5-7;2*1-2/h6H,2-5H2,1H3;2*1-2H3
InChIKeyRGCANAHMQRRQFM-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane?
The IUPAC name of ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane (CID 164919017) is ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane.
What is the SMILES notation for ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane?
The canonical SMILES for ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane is CC.CC.CC12COCC(CO1)C2.
What is the InChIKey of ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane?
The InChIKey is RGCANAHMQRRQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.2C2H6/c1-7-2-6(4-9-7)3-8-5-7;2*1-2/h6H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane?
ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane has a molecular weight of 188.31 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3,6-dioxabicyclo[3.2.1]octane is sourced from PubChem (CID 164919017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).