2-ethyl-3,3-dimethyl-4-methylideneoxane

C10H18O — CID 166667026

IUPAC2-ethyl-3,3-dimethyl-4-methylideneoxane
SMILESC=C1CCOC(CC)C1(C)C
InChIInChI=1S/C10H18O/c1-5-9-10(3,4)8(2)6-7-11-9/h9H,2,5-7H2,1,3-4H3
InChIKeyIXHSCNCZQQHNRL-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds1

About 2-ethyl-3,3-dimethyl-4-methylideneoxane

2-ethyl-3,3-dimethyl-4-methylideneoxane (PubChem CID 166667026) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 2-ethyl-3,3-dimethyl-4-methylideneoxane.

Molecular Properties

Compound Name2-ethyl-3,3-dimethyl-4-methylideneoxane
PubChem CID166667026
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name2-ethyl-3,3-dimethyl-4-methylideneoxane
SMILESC=C1CCOC(CC)C1(C)C
InChIInChI=1S/C10H18O/c1-5-9-10(3,4)8(2)6-7-11-9/h9H,2,5-7H2,1,3-4H3
InChIKeyIXHSCNCZQQHNRL-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-dimethyl-4-methylideneoxane?
The IUPAC name of 2-ethyl-3,3-dimethyl-4-methylideneoxane (CID 166667026) is 2-ethyl-3,3-dimethyl-4-methylideneoxane.
What is the SMILES notation for 2-ethyl-3,3-dimethyl-4-methylideneoxane?
The canonical SMILES for 2-ethyl-3,3-dimethyl-4-methylideneoxane is C=C1CCOC(CC)C1(C)C.
What is the InChIKey of 2-ethyl-3,3-dimethyl-4-methylideneoxane?
The InChIKey is IXHSCNCZQQHNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-5-9-10(3,4)8(2)6-7-11-9/h9H,2,5-7H2,1,3-4H3.
What are the key properties of 2-ethyl-3,3-dimethyl-4-methylideneoxane?
2-ethyl-3,3-dimethyl-4-methylideneoxane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-dimethyl-4-methylideneoxane is sourced from PubChem (CID 166667026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).