2-ethyl-3,4,5-trimethyl-6-methylideneoxane

C11H20O — CID 21362336

IUPAC2-ethyl-3,4,5-trimethyl-6-methylideneoxane
SMILESC=C1OC(CC)C(C)C(C)C1C
InChIInChI=1S/C11H20O/c1-6-11-9(4)7(2)8(3)10(5)12-11/h7-9,11H,5-6H2,1-4H3
InChIKeyYJWUYUIGULWMBK-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.22
Rot. Bonds1

About 2-ethyl-3,4,5-trimethyl-6-methylideneoxane

2-ethyl-3,4,5-trimethyl-6-methylideneoxane (PubChem CID 21362336) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-ethyl-3,4,5-trimethyl-6-methylideneoxane.

Molecular Properties

Compound Name2-ethyl-3,4,5-trimethyl-6-methylideneoxane
PubChem CID21362336
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-ethyl-3,4,5-trimethyl-6-methylideneoxane
SMILESC=C1OC(CC)C(C)C(C)C1C
InChIInChI=1S/C11H20O/c1-6-11-9(4)7(2)8(3)10(5)12-11/h7-9,11H,5-6H2,1-4H3
InChIKeyYJWUYUIGULWMBK-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tetrahydro-4-methylene-2-(2-methylpropyl)-2H-pyran
CID 108399
(r)-5-Ethyl-2-methylene-tetrahydro-pyran
CID 14892305
Thromboxene
CID 57129285
(3R,4S,5S,6R)-2-(difluoromethylidene)-6-ethyl-3,4,5-trimethyloxane
CID 60138929
4-(3-Fluoro-4-methylpent-1-en-2-yl)oxane
CID 89053233
5-(4-Fluoropentyl)-2-methylideneoxane
CID 126704984
4-Methylidene-2-propan-2-yloxane
CID 12283091
4-Methyl-2-(2-methylprop-2-enyl)oxane
CID 13894254
W66K9Csq4Z
CID 92278448
(2R,3S)-3-ethenyl-2-propyloxane
CID 134995819
(2S,4S)-4-methyl-2-(2-methylprop-2-enyl)oxane
CID 102095302
2,6-Dimethyl-3-prop-1-en-2-yloxane
CID 3833578

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,5-trimethyl-6-methylideneoxane?
The IUPAC name of 2-ethyl-3,4,5-trimethyl-6-methylideneoxane (CID 21362336) is 2-ethyl-3,4,5-trimethyl-6-methylideneoxane.
What is the SMILES notation for 2-ethyl-3,4,5-trimethyl-6-methylideneoxane?
The canonical SMILES for 2-ethyl-3,4,5-trimethyl-6-methylideneoxane is C=C1OC(CC)C(C)C(C)C1C.
What is the InChIKey of 2-ethyl-3,4,5-trimethyl-6-methylideneoxane?
The InChIKey is YJWUYUIGULWMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-6-11-9(4)7(2)8(3)10(5)12-11/h7-9,11H,5-6H2,1-4H3.
What are the key properties of 2-ethyl-3,4,5-trimethyl-6-methylideneoxane?
2-ethyl-3,4,5-trimethyl-6-methylideneoxane has a molecular weight of 168.28 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,5-trimethyl-6-methylideneoxane is sourced from PubChem (CID 21362336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).