2,3-dimethyl-6-methylideneoxane

C8H14O — CID 76707743

IUPAC2,3-dimethyl-6-methylideneoxane
SMILESC=C1CCC(C)C(C)O1
InChIInChI=1S/C8H14O/c1-6-4-5-7(2)9-8(6)3/h6,8H,2,4-5H2,1,3H3
InChIKeyFCSIPGLWSBKXNC-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.34
Rot. Bonds

About 2,3-dimethyl-6-methylideneoxane

2,3-dimethyl-6-methylideneoxane (PubChem CID 76707743) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,3-dimethyl-6-methylideneoxane.

Molecular Properties

Compound Name2,3-dimethyl-6-methylideneoxane
PubChem CID76707743
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,3-dimethyl-6-methylideneoxane
SMILESC=C1CCC(C)C(C)O1
InChIInChI=1S/C8H14O/c1-6-4-5-7(2)9-8(6)3/h6,8H,2,4-5H2,1,3H3
InChIKeyFCSIPGLWSBKXNC-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 2,3-dimethyl-6-methylideneoxane?
The IUPAC name of 2,3-dimethyl-6-methylideneoxane (CID 76707743) is 2,3-dimethyl-6-methylideneoxane.
What is the SMILES notation for 2,3-dimethyl-6-methylideneoxane?
The canonical SMILES for 2,3-dimethyl-6-methylideneoxane is C=C1CCC(C)C(C)O1.
What is the InChIKey of 2,3-dimethyl-6-methylideneoxane?
The InChIKey is FCSIPGLWSBKXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-4-5-7(2)9-8(6)3/h6,8H,2,4-5H2,1,3H3.
What are the key properties of 2,3-dimethyl-6-methylideneoxane?
2,3-dimethyl-6-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 2,3-dimethyl-6-methylideneoxane is sourced from PubChem (CID 76707743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).