ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane

C13H24O — CID 158865817

IUPACethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane
SMILESC=C1OC2(C)CCC1(C)C2(C)C.CC
InChIInChI=1S/C11H18O.C2H6/c1-8-10(4)6-7-11(5,12-8)9(10,2)3;1-2/h1,6-7H2,2-5H3;1-2H3
InChIKeyJBFHWNSSCKPWRG-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.14
Rot. Bonds

About ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane

ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane (PubChem CID 158865817) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Nameethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane
PubChem CID158865817
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Nameethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane
SMILESC=C1OC2(C)CCC1(C)C2(C)C.CC
InChIInChI=1S/C11H18O.C2H6/c1-8-10(4)6-7-11(5,12-8)9(10,2)3;1-2/h1,6-7H2,2-5H3;1-2H3
InChIKeyJBFHWNSSCKPWRG-UHFFFAOYSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane?
The IUPAC name of ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane (CID 158865817) is ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane?
The canonical SMILES for ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane is C=C1OC2(C)CCC1(C)C2(C)C.CC.
What is the InChIKey of ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane?
The InChIKey is JBFHWNSSCKPWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O.C2H6/c1-8-10(4)6-7-11(5,12-8)9(10,2)3;1-2/h1,6-7H2,2-5H3;1-2H3.
What are the key properties of ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane?
ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane has a molecular weight of 196.33 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,4,7,7-tetramethyl-3-methylidene-2-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 158865817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).