3,3,4-trimethyl-2-methylideneoxolane

C8H14O — CID 59069342

IUPAC3,3,4-trimethyl-2-methylideneoxolane
SMILESC=C1OCC(C)C1(C)C
InChIInChI=1S/C8H14O/c1-6-5-9-7(2)8(6,3)4/h6H,2,5H2,1,3-4H3
InChIKeyLTZPLJTVAYUYMY-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.19
Rot. Bonds

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

3,3,4-trimethyl-2-methylideneoxolane (PubChem CID 59069342) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3,3,4-trimethyl-2-methylideneoxolane.

Molecular Properties

Compound Name3,3,4-trimethyl-2-methylideneoxolane
PubChem CID59069342
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3,3,4-trimethyl-2-methylideneoxolane
SMILESC=C1OCC(C)C1(C)C
InChIInChI=1S/C8H14O/c1-6-5-9-7(2)8(6,3)4/h6H,2,5H2,1,3-4H3
InChIKeyLTZPLJTVAYUYMY-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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Related Compounds

3,3-Dimethyl-2-methylideneoxolane
CID 17804677
3-Methyl-2-methylideneoxolane
CID 20587740
3,3-Dimethyl-2-(2-methylpropoxy)pent-1-ene
CID 18717512
3,3,4,4-Tetramethyl-2-methylideneoxolane
CID 20672935
3,4-Dimethyl-2-methylideneoxolane
CID 20695510
4-Methyl-2-methylideneoxolane
CID 54443170
2-Ethoxy-3,4,4-trimethylpent-1-ene
CID 59636855
3,3-Dimethyl-2-(3-methylbutoxy)pent-1-ene
CID 59986246
2-Ethoxy-3,3-dimethylpent-1-ene
CID 87159466
3-Ethyl-3-methyl-2-methylideneoxolane
CID 89028587
(3R)-3,4-dimethyl-2-methylideneoxolane
CID 89604095
3-Ethyl-3,4-dimethyl-2-methylideneoxolane
CID 89984787

Frequently Asked Questions

What is the IUPAC name of 3,3,4-trimethyl-2-methylideneoxolane?
The IUPAC name of 3,3,4-trimethyl-2-methylideneoxolane (CID 59069342) is 3,3,4-trimethyl-2-methylideneoxolane.
What is the SMILES notation for 3,3,4-trimethyl-2-methylideneoxolane?
The canonical SMILES for 3,3,4-trimethyl-2-methylideneoxolane is C=C1OCC(C)C1(C)C.
What is the InChIKey of 3,3,4-trimethyl-2-methylideneoxolane?
The InChIKey is LTZPLJTVAYUYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-6-5-9-7(2)8(6,3)4/h6H,2,5H2,1,3-4H3.
What are the key properties of 3,3,4-trimethyl-2-methylideneoxolane?
3,3,4-trimethyl-2-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 3,3,4-trimethyl-2-methylideneoxolane is sourced from PubChem (CID 59069342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).