3-tert-butyl-2-methyl-6-methylideneoxane

C11H20O — CID 23598660

IUPAC3-tert-butyl-2-methyl-6-methylideneoxane
SMILESC=C1CCC(C(C)(C)C)C(C)O1
InChIInChI=1S/C11H20O/c1-8-6-7-10(9(2)12-8)11(3,4)5/h9-10H,1,6-7H2,2-5H3
InChIKeyJOFGRVFQPYMOGJ-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.36
Rot. Bonds

About 3-tert-butyl-2-methyl-6-methylideneoxane

3-tert-butyl-2-methyl-6-methylideneoxane (PubChem CID 23598660) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-tert-butyl-2-methyl-6-methylideneoxane.

Molecular Properties

Compound Name3-tert-butyl-2-methyl-6-methylideneoxane
PubChem CID23598660
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-tert-butyl-2-methyl-6-methylideneoxane
SMILESC=C1CCC(C(C)(C)C)C(C)O1
InChIInChI=1S/C11H20O/c1-8-6-7-10(9(2)12-8)11(3,4)5/h9-10H,1,6-7H2,2-5H3
InChIKeyJOFGRVFQPYMOGJ-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-methylideneoxolan-2-yl)methanamine;propane-2,2-diol
CID 156802298
3-methyl-6-methylideneoxan-2-ol
CID 59696806
3-tert-butyl-2-methyloxolane;methane
CID 158649776
2-methyl-7-methylideneoxepane
CID 70423571
7-methyl-2-methylidene-3,4,4a,7,8,8a-hexahydrochromene
CID 89099143
2-methyl-17-methylidene-oxacycloheptadecane
CID 167557822
tert-butyl-dimethyl-[2-[(2R,3S)-3-methyl-6-methylideneoxan-2-yl]ethoxy]silane
CID 10564008
2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane
CID 161105349
(1S)-1-tert-butyl-3-methylidenecyclohexane
CID 161355600
3-tert-butyl-2-prop-2-enyloxolane
CID 15502844
2,3-dimethyl-6-methylideneoxan-2-ol
CID 22948704
5-tert-butyl-3-methyl-4,5,6,7-tetrahydro-1-benzofuran
CID 158199396

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-methyl-6-methylideneoxane?
The IUPAC name of 3-tert-butyl-2-methyl-6-methylideneoxane (CID 23598660) is 3-tert-butyl-2-methyl-6-methylideneoxane.
What is the SMILES notation for 3-tert-butyl-2-methyl-6-methylideneoxane?
The canonical SMILES for 3-tert-butyl-2-methyl-6-methylideneoxane is C=C1CCC(C(C)(C)C)C(C)O1.
What is the InChIKey of 3-tert-butyl-2-methyl-6-methylideneoxane?
The InChIKey is JOFGRVFQPYMOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8-6-7-10(9(2)12-8)11(3,4)5/h9-10H,1,6-7H2,2-5H3.
What are the key properties of 3-tert-butyl-2-methyl-6-methylideneoxane?
3-tert-butyl-2-methyl-6-methylideneoxane has a molecular weight of 168.28 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-methyl-6-methylideneoxane is sourced from PubChem (CID 23598660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).