2,4-diethyl-3,3-dimethyl-6-methylideneoxane

C12H22O — CID 123458252

IUPAC2,4-diethyl-3,3-dimethyl-6-methylideneoxane
SMILESC=C1CC(CC)C(C)(C)C(CC)O1
InChIInChI=1S/C12H22O/c1-6-10-8-9(3)13-11(7-2)12(10,4)5/h10-11H,3,6-8H2,1-2,4-5H3
InChIKeyMOUKOOYNBSNQIP-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.75
Rot. Bonds2

About 2,4-diethyl-3,3-dimethyl-6-methylideneoxane

2,4-diethyl-3,3-dimethyl-6-methylideneoxane (PubChem CID 123458252) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,4-diethyl-3,3-dimethyl-6-methylideneoxane.

Molecular Properties

Compound Name2,4-diethyl-3,3-dimethyl-6-methylideneoxane
PubChem CID123458252
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,4-diethyl-3,3-dimethyl-6-methylideneoxane
SMILESC=C1CC(CC)C(C)(C)C(CC)O1
InChIInChI=1S/C12H22O/c1-6-10-8-9(3)13-11(7-2)12(10,4)5/h10-11H,3,6-8H2,1-2,4-5H3
InChIKeyMOUKOOYNBSNQIP-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-3,3-dimethyl-6-methylideneoxane?
The IUPAC name of 2,4-diethyl-3,3-dimethyl-6-methylideneoxane (CID 123458252) is 2,4-diethyl-3,3-dimethyl-6-methylideneoxane.
What is the SMILES notation for 2,4-diethyl-3,3-dimethyl-6-methylideneoxane?
The canonical SMILES for 2,4-diethyl-3,3-dimethyl-6-methylideneoxane is C=C1CC(CC)C(C)(C)C(CC)O1.
What is the InChIKey of 2,4-diethyl-3,3-dimethyl-6-methylideneoxane?
The InChIKey is MOUKOOYNBSNQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-6-10-8-9(3)13-11(7-2)12(10,4)5/h10-11H,3,6-8H2,1-2,4-5H3.
What are the key properties of 2,4-diethyl-3,3-dimethyl-6-methylideneoxane?
2,4-diethyl-3,3-dimethyl-6-methylideneoxane has a molecular weight of 182.31 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-3,3-dimethyl-6-methylideneoxane is sourced from PubChem (CID 123458252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).