3-ethyl-3-prop-2-enyloxetane

C8H14O — CID 68640910

IUPAC3-ethyl-3-prop-2-enyloxetane
SMILESC=CCC1(CC)COC1
InChIInChI=1S/C8H14O/c1-3-5-8(4-2)6-9-7-8/h3H,1,4-7H2,2H3
InChIKeyYIHPLNUDOXEVFJ-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.99
Rot. Bonds3

About 3-ethyl-3-prop-2-enyloxetane

3-ethyl-3-prop-2-enyloxetane (PubChem CID 68640910) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-ethyl-3-prop-2-enyloxetane.

Molecular Properties

Compound Name3-ethyl-3-prop-2-enyloxetane
PubChem CID68640910
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-ethyl-3-prop-2-enyloxetane
SMILESC=CCC1(CC)COC1
InChIInChI=1S/C8H14O/c1-3-5-8(4-2)6-9-7-8/h3H,1,4-7H2,2H3
InChIKeyYIHPLNUDOXEVFJ-UHFFFAOYSA-N
XLogP1.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-1-prop-2-enylcyclobutane
CID 123404506
3-prop-2-enyl-3-propyloxolane
CID 68879420
N-ethenyl-N-[(3-ethyloxetan-3-yl)methyl]formamide
CID 58338970
2,2-dimethyl-5,5-bis(prop-2-enyl)-1,3-dioxane
CID 10932381
3-ethyl-3-(2-methylprop-2-enyl)oxetane
CID 89146557
2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid
CID 141301730
3-ethyl-2,3-dimethyl-2-prop-2-enyloxetane
CID 174682526
3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane
CID 130476683
3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane
CID 139997866
2,2-dimethyl-5-pent-2-enyl-5-prop-2-enyl-1,3-dioxane
CID 67259972
3-ethyl-3-[2-[2-[2-(3-ethyloxetan-3-yl)ethoxy]ethoxy]ethyl]oxetane
CID 171781169
2-(3-ethyloxetan-3-yl)-N,N-dimethylethanamine
CID 144841125

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-prop-2-enyloxetane?
The IUPAC name of 3-ethyl-3-prop-2-enyloxetane (CID 68640910) is 3-ethyl-3-prop-2-enyloxetane.
What is the SMILES notation for 3-ethyl-3-prop-2-enyloxetane?
The canonical SMILES for 3-ethyl-3-prop-2-enyloxetane is C=CCC1(CC)COC1.
What is the InChIKey of 3-ethyl-3-prop-2-enyloxetane?
The InChIKey is YIHPLNUDOXEVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-5-8(4-2)6-9-7-8/h3H,1,4-7H2,2H3.
What are the key properties of 3-ethyl-3-prop-2-enyloxetane?
3-ethyl-3-prop-2-enyloxetane has a molecular weight of 126.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-prop-2-enyloxetane is sourced from PubChem (CID 68640910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).