(4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate

C11H18O3 — CID 90717485

IUPAC(4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate
SMILESC=CC1C(CC)OC(C)C1OC(C)=O
InChIInChI=1S/C11H18O3/c1-5-9-10(6-2)13-7(3)11(9)14-8(4)12/h5,7,9-11H,1,6H2,2-4H3
InChIKeyRDAMYDNKWVCFDA-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.92
Rot. Bonds3

About (4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate

(4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate (PubChem CID 90717485) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is (4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate.

Molecular Properties

Compound Name(4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate
PubChem CID90717485
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name(4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate
SMILESC=CC1C(CC)OC(C)C1OC(C)=O
InChIInChI=1S/C11H18O3/c1-5-9-10(6-2)13-7(3)11(9)14-8(4)12/h5,7,9-11H,1,6H2,2-4H3
InChIKeyRDAMYDNKWVCFDA-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4S,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-yl] acetate
CID 176613165
2-Ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane
CID 18716210
(3-Methyl-3-pent-4-enyloxiran-2-yl)methyl acetate
CID 21658014
[(2S,3S)-3-methyl-3-pent-4-enyloxiran-2-yl]methyl acetate
CID 57205835
[(3S,4S,5R)-5-[(2S)-but-3-en-2-yl]-5-ethyl-4-methoxy-3,4-dihydro-2H-furan-2-id-3-yl] acetate;uranium
CID 58049048
(3S)-2-ethyl-4-methoxy-3-methyl-5-prop-2-enyloxolane
CID 59883477
(5-Ethyl-4-methyl-2-prop-2-enyloxolan-3-yl) acetate
CID 118375028
[5-(1-Methoxyethyl)-4-methyl-2-prop-2-enyloxolan-3-yl] acetate
CID 118375033
(4-Methyl-5-propan-2-yl-2-prop-2-enyloxolan-3-yl) acetate
CID 118375039
[5-Methyl-4-(2-methylbut-3-enyl)oxolan-3-yl] acetate
CID 123824862
[(2S,3R)-3-prop-2-enylheptan-2-yl] acetate
CID 130192552
[(5S)-5-prop-2-enyloxolan-3-yl] acetate
CID 163680474

Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate?
The IUPAC name of (4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate (CID 90717485) is (4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate.
What is the SMILES notation for (4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate?
The canonical SMILES for (4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate is C=CC1C(CC)OC(C)C1OC(C)=O.
What is the InChIKey of (4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate?
The InChIKey is RDAMYDNKWVCFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-5-9-10(6-2)13-7(3)11(9)14-8(4)12/h5,7,9-11H,1,6H2,2-4H3.
What are the key properties of (4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate?
(4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate has a molecular weight of 198.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-5-ethyl-2-methyloxolan-3-yl) acetate is sourced from PubChem (CID 90717485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).