(6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate

C14H24O3 — CID 58210481

IUPAC(6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate
SMILESC=CC1(CC)OC(OC(C)=O)C(C)C(C)C1C
InChIInChI=1S/C14H24O3/c1-7-14(8-2)11(5)9(3)10(4)13(17-14)16-12(6)15/h7,9-11,13H,1,8H2,2-6H3
InChIKeyDEHXELORFUGNRL-UHFFFAOYSA-N
MW240.34 g/mol
LogP3.15
Rot. Bonds3

About (6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate

(6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate (PubChem CID 58210481) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate.

Molecular Properties

Compound Name(6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate
PubChem CID58210481
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate
SMILESC=CC1(CC)OC(OC(C)=O)C(C)C(C)C1C
InChIInChI=1S/C14H24O3/c1-7-14(8-2)11(5)9(3)10(4)13(17-14)16-12(6)15/h7,9-11,13H,1,8H2,2-6H3
InChIKeyDEHXELORFUGNRL-UHFFFAOYSA-N
XLogP3.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.15
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

(2S,3R,5R,6S)-6-((R)-but-3-en-2-yl)-3,5-dimethyltetrahydro-2H-pyran-2-yl acetate
CID 154731540
[(2S,3R,4S,5S,6S)-2-acetyloxy-6-ethenyl-6-ethyl-4,5-dimethyloxan-3-yl] acetate
CID 58210472
(3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
CID 59226844
(6-Ethenyl-6-propyloxan-3-yl)methyl acetate
CID 144500280
(4-Methyl-6-propan-2-yloxan-2-yl) prop-2-enoate
CID 167242302
2-Methyl-3-methylidene-2-(2-methylpropyl)-6-prop-2-enoxyoxane
CID 11020550
2-Ethyl-2-methyl-3-methylidene-6-prop-2-enoxyoxane
CID 15399794

Frequently Asked Questions

What is the IUPAC name of (6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate?
The IUPAC name of (6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate (CID 58210481) is (6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate.
What is the SMILES notation for (6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate?
The canonical SMILES for (6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate is C=CC1(CC)OC(OC(C)=O)C(C)C(C)C1C.
What is the InChIKey of (6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate?
The InChIKey is DEHXELORFUGNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-7-14(8-2)11(5)9(3)10(4)13(17-14)16-12(6)15/h7,9-11,13H,1,8H2,2-6H3.
What are the key properties of (6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate?
(6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate has a molecular weight of 240.34 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethenyl-6-ethyl-3,4,5-trimethyloxan-2-yl) acetate is sourced from PubChem (CID 58210481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).