2-(methoxymethyl)oxetane;3-methylpent-1-ene

C11H22O2 — CID 162074193

IUPAC2-(methoxymethyl)oxetane;3-methylpent-1-ene
SMILESC=CC(C)CC.COCC1CCO1
InChIInChI=1S/C6H12.C5H10O2/c1-4-6(3)5-2;1-6-4-5-2-3-7-5/h4,6H,1,5H2,2-3H3;5H,2-4H2,1H3
InChIKeyZBMJOPWAXCLGLG-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.64
Rot. Bonds4

About 2-(methoxymethyl)oxetane;3-methylpent-1-ene

2-(methoxymethyl)oxetane;3-methylpent-1-ene (PubChem CID 162074193) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-(methoxymethyl)oxetane;3-methylpent-1-ene.

Molecular Properties

Compound Name2-(methoxymethyl)oxetane;3-methylpent-1-ene
PubChem CID162074193
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-(methoxymethyl)oxetane;3-methylpent-1-ene
SMILESC=CC(C)CC.COCC1CCO1
InChIInChI=1S/C6H12.C5H10O2/c1-4-6(3)5-2;1-6-4-5-2-3-7-5/h4,6H,1,5H2,2-3H3;5H,2-4H2,1H3
InChIKeyZBMJOPWAXCLGLG-UHFFFAOYSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-3-allylmethoxy oxetane
CID 118482955
3-Methyl-3-pent-4-enoxyoxetane
CID 118482951
3-(3-Methylpent-4-enoxy)-3-propyloxetane
CID 118482958
3-Ethyl-3-(3-methylpent-4-enoxy)oxetane
CID 118482967
3-Ethyl-3-pent-4-enoxyoxetane
CID 118482971
3-Methyl-3-(3-methylpent-4-enoxy)oxetane
CID 118482991
2-(But-1-enoxymethyl)-3-ethyloxetane
CID 141062648
2-(But-1-enoxymethyl)-2-methyloxetane
CID 141069763
2-(3-Methylbut-1-enoxymethyl)oxetane
CID 150746966
2-(3-Methylpent-1-enoxy)ethoxycyclobutane
CID 151569608
4,5-Dimethoxy-3-methylpent-1-ene
CID 152266362
2-(3-Methylpent-1-enoxymethyl)oxetane
CID 152405301

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)oxetane;3-methylpent-1-ene?
The IUPAC name of 2-(methoxymethyl)oxetane;3-methylpent-1-ene (CID 162074193) is 2-(methoxymethyl)oxetane;3-methylpent-1-ene.
What is the SMILES notation for 2-(methoxymethyl)oxetane;3-methylpent-1-ene?
The canonical SMILES for 2-(methoxymethyl)oxetane;3-methylpent-1-ene is C=CC(C)CC.COCC1CCO1.
What is the InChIKey of 2-(methoxymethyl)oxetane;3-methylpent-1-ene?
The InChIKey is ZBMJOPWAXCLGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C5H10O2/c1-4-6(3)5-2;1-6-4-5-2-3-7-5/h4,6H,1,5H2,2-3H3;5H,2-4H2,1H3.
What are the key properties of 2-(methoxymethyl)oxetane;3-methylpent-1-ene?
2-(methoxymethyl)oxetane;3-methylpent-1-ene has a molecular weight of 186.29 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)oxetane;3-methylpent-1-ene is sourced from PubChem (CID 162074193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).