5,5-dimethyl-2-methylideneoxane

C8H14O — CID 58763804

IUPAC5,5-dimethyl-2-methylideneoxane
SMILESC=C1CCC(C)(C)CO1
InChIInChI=1S/C8H14O/c1-7-4-5-8(2,3)6-9-7/h1,4-6H2,2-3H3
InChIKeyDMQDXSABJRGREH-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds

About 5,5-dimethyl-2-methylideneoxane

5,5-dimethyl-2-methylideneoxane (PubChem CID 58763804) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 5,5-dimethyl-2-methylideneoxane.

Molecular Properties

Compound Name5,5-dimethyl-2-methylideneoxane
PubChem CID58763804
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name5,5-dimethyl-2-methylideneoxane
SMILESC=C1CCC(C)(C)CO1
InChIInChI=1S/C8H14O/c1-7-4-5-8(2,3)6-9-7/h1,4-6H2,2-3H3
InChIKeyDMQDXSABJRGREH-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 5,5-dimethyl-2-methylideneoxane?
The IUPAC name of 5,5-dimethyl-2-methylideneoxane (CID 58763804) is 5,5-dimethyl-2-methylideneoxane.
What is the SMILES notation for 5,5-dimethyl-2-methylideneoxane?
The canonical SMILES for 5,5-dimethyl-2-methylideneoxane is C=C1CCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-methylideneoxane?
The InChIKey is DMQDXSABJRGREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-7-4-5-8(2,3)6-9-7/h1,4-6H2,2-3H3.
What are the key properties of 5,5-dimethyl-2-methylideneoxane?
5,5-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 5,5-dimethyl-2-methylideneoxane is sourced from PubChem (CID 58763804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).