2,3,4-trimethyl-5-methylideneoxolane

C8H14O — CID 126607192

IUPAC2,3,4-trimethyl-5-methylideneoxolane
SMILESC=C1OC(C)C(C)C1C
InChIInChI=1S/C8H14O/c1-5-6(2)8(4)9-7(5)3/h5-6,8H,3H2,1-2,4H3
InChIKeyMWNDUSSGSVLVEF-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.19
Rot. Bonds

About 2,3,4-trimethyl-5-methylideneoxolane

2,3,4-trimethyl-5-methylideneoxolane (PubChem CID 126607192) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 2,3,4-trimethyl-5-methylideneoxolane.

Molecular Properties

Compound Name2,3,4-trimethyl-5-methylideneoxolane
PubChem CID126607192
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name2,3,4-trimethyl-5-methylideneoxolane
SMILESC=C1OC(C)C(C)C1C
InChIInChI=1S/C8H14O/c1-5-6(2)8(4)9-7(5)3/h5-6,8H,3H2,1-2,4H3
InChIKeyMWNDUSSGSVLVEF-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-5-methylideneoxolane?
The IUPAC name of 2,3,4-trimethyl-5-methylideneoxolane (CID 126607192) is 2,3,4-trimethyl-5-methylideneoxolane.
What is the SMILES notation for 2,3,4-trimethyl-5-methylideneoxolane?
The canonical SMILES for 2,3,4-trimethyl-5-methylideneoxolane is C=C1OC(C)C(C)C1C.
What is the InChIKey of 2,3,4-trimethyl-5-methylideneoxolane?
The InChIKey is MWNDUSSGSVLVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-5-6(2)8(4)9-7(5)3/h5-6,8H,3H2,1-2,4H3.
What are the key properties of 2,3,4-trimethyl-5-methylideneoxolane?
2,3,4-trimethyl-5-methylideneoxolane has a molecular weight of 126.20 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-5-methylideneoxolane is sourced from PubChem (CID 126607192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).