2,2-dimethyl-4-methylideneoxane

C8H14O — CID 11789221

IUPAC2,2-dimethyl-4-methylideneoxane
SMILESC=C1CCOC(C)(C)C1
InChIInChI=1S/C8H14O/c1-7-4-5-9-8(2,3)6-7/h1,4-6H2,2-3H3
InChIKeySYWFPHXAKJTWQT-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.13
Rot. Bonds

About 2,2-dimethyl-4-methylideneoxane

2,2-dimethyl-4-methylideneoxane (PubChem CID 11789221) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,2-dimethyl-4-methylideneoxane.

Molecular Properties

Compound Name2,2-dimethyl-4-methylideneoxane
PubChem CID11789221
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,2-dimethyl-4-methylideneoxane
SMILESC=C1CCOC(C)(C)C1
InChIInChI=1S/C8H14O/c1-7-4-5-9-8(2,3)6-7/h1,4-6H2,2-3H3
InChIKeySYWFPHXAKJTWQT-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.13
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 2,2-dimethyl-4-methylideneoxane?
The IUPAC name of 2,2-dimethyl-4-methylideneoxane (CID 11789221) is 2,2-dimethyl-4-methylideneoxane.
What is the SMILES notation for 2,2-dimethyl-4-methylideneoxane?
The canonical SMILES for 2,2-dimethyl-4-methylideneoxane is C=C1CCOC(C)(C)C1.
What is the InChIKey of 2,2-dimethyl-4-methylideneoxane?
The InChIKey is SYWFPHXAKJTWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-4-5-9-8(2,3)6-7/h1,4-6H2,2-3H3.
What are the key properties of 2,2-dimethyl-4-methylideneoxane?
2,2-dimethyl-4-methylideneoxane has a molecular weight of 126.20 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-methylideneoxane is sourced from PubChem (CID 11789221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).