4,4-dimethyl-2-methylideneoxane

C8H14O — CID 58763809

IUPAC4,4-dimethyl-2-methylideneoxane
SMILESC=C1CC(C)(C)CCO1
InChIInChI=1S/C8H14O/c1-7-6-8(2,3)4-5-9-7/h1,4-6H2,2-3H3
InChIKeyTWDXJCCOCNGEAR-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds

About 4,4-dimethyl-2-methylideneoxane

4,4-dimethyl-2-methylideneoxane (PubChem CID 58763809) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 4,4-dimethyl-2-methylideneoxane.

Molecular Properties

Compound Name4,4-dimethyl-2-methylideneoxane
PubChem CID58763809
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name4,4-dimethyl-2-methylideneoxane
SMILESC=C1CC(C)(C)CCO1
InChIInChI=1S/C8H14O/c1-7-6-8(2,3)4-5-9-7/h1,4-6H2,2-3H3
InChIKeyTWDXJCCOCNGEAR-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-methylideneoxane?
The IUPAC name of 4,4-dimethyl-2-methylideneoxane (CID 58763809) is 4,4-dimethyl-2-methylideneoxane.
What is the SMILES notation for 4,4-dimethyl-2-methylideneoxane?
The canonical SMILES for 4,4-dimethyl-2-methylideneoxane is C=C1CC(C)(C)CCO1.
What is the InChIKey of 4,4-dimethyl-2-methylideneoxane?
The InChIKey is TWDXJCCOCNGEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-6-8(2,3)4-5-9-7/h1,4-6H2,2-3H3.
What are the key properties of 4,4-dimethyl-2-methylideneoxane?
4,4-dimethyl-2-methylideneoxane has a molecular weight of 126.20 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-methylideneoxane is sourced from PubChem (CID 58763809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).