3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane

C10H18O2 — CID 176603129

IUPAC3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane
SMILESCC(C)=COCC1(C)CCOC1
InChIInChI=1S/C10H18O2/c1-9(2)6-12-8-10(3)4-5-11-7-10/h6H,4-5,7-8H2,1-3H3
InChIKeyWPYJMHJCWGVPJI-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

About 3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane

3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane (PubChem CID 176603129) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane.

Molecular Properties

Compound Name3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane
PubChem CID176603129
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane
SMILESCC(C)=COCC1(C)CCOC1
InChIInChI=1S/C10H18O2/c1-9(2)6-12-8-10(3)4-5-11-7-10/h6H,4-5,7-8H2,1-3H3
InChIKeyWPYJMHJCWGVPJI-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-4-(2-methylprop-1-enoxymethyl)oxane
CID 176602969
2-methyl-2-(2-methylprop-1-enoxymethyl)oxocane
CID 176603429
(3-methyloxolan-3-yl)methanethiol
CID 155973621
2-ethyl-2-(2-methylprop-1-enoxymethyl)oxane
CID 176604881
3-methyl-3-[[(E)-pent-3-enoxy]methyl]oxolane
CID 177177757
1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
CID 84820832
(2R,6S,7R)-1,7-dimethyl-7-(2-methylprop-1-enoxymethyl)tricyclo[2.2.1.02,6]heptane
CID 98125613
ethane;N-methyl-1-(3-methyloxolan-3-yl)methanamine
CID 144998741
N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine
CID 170119117
CID 58450372
CID 58450372
(3-methyloxetan-3-yl)methyl 3-methylbut-2-enoate
CID 69419737
4-methyl-4-[(4-methyloxan-4-yl)methyl]oxane
CID 143821353

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane?
The IUPAC name of 3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane (CID 176603129) is 3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane.
What is the SMILES notation for 3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane?
The canonical SMILES for 3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane is CC(C)=COCC1(C)CCOC1.
What is the InChIKey of 3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane?
The InChIKey is WPYJMHJCWGVPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-9(2)6-12-8-10(3)4-5-11-7-10/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane?
3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylprop-1-enoxymethyl)oxolane is sourced from PubChem (CID 176603129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).