2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane

C13H24O2 — CID 21339254

IUPAC2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
SMILESC=CCOC1OC(CC)C(C)C(C)C1C
InChIInChI=1S/C13H24O2/c1-6-8-14-13-11(5)9(3)10(4)12(7-2)15-13/h6,9-13H,1,7-8H2,2-5H3
InChIKeyZXIHVHRLUMCMJZ-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.23
Rot. Bonds4

About 2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane

2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane (PubChem CID 21339254) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane.

Molecular Properties

Compound Name2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
PubChem CID21339254
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
SMILESC=CCOC1OC(CC)C(C)C(C)C1C
InChIInChI=1S/C13H24O2/c1-6-8-14-13-11(5)9(3)10(4)12(7-2)15-13/h6,9-13H,1,7-8H2,2-5H3
InChIKeyZXIHVHRLUMCMJZ-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.23
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

(2R,3R,4S,5R)-2,3,5-trimethyl-6-prop-2-enoxyoxan-4-ol
CID 14863224
(2R,3S,4R,5R,6S)-2-ethyl-4,5-dimethyl-6-prop-2-enoxyoxan-3-ol
CID 57605788
(3R,5R,6R)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 58241359
(3R,4S,6R)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 58241381
(4S,6R)-2-ethyl-3,4,5-trimethyl-6-pent-4-enoxyoxane
CID 58658291
(3R,5R,6S)-2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
CID 59163670
(3S,4S,5R)-2,2-diethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane
CID 59226844
(6-Ethyl-4,5-dimethyl-2-prop-2-enoxyoxan-3-yl) acetate
CID 68104621
(3S,4S,6S)-2,3,4,5-tetramethyl-6-[(Z)-prop-1-enoxy]oxane
CID 121355244
(3R,5S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 123210808
(3R,4S,6S)-2-ethenyl-6-methoxy-3,4,5-trimethyloxane
CID 123802921
2-ethyl-3,4,5-trimethyl-6-[3-[(Z)-prop-1-enoxy]pentan-2-yloxy]oxane
CID 130348635

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
The IUPAC name of 2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane (CID 21339254) is 2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane.
What is the SMILES notation for 2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
The canonical SMILES for 2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane is C=CCOC1OC(CC)C(C)C(C)C1C.
What is the InChIKey of 2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
The InChIKey is ZXIHVHRLUMCMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-8-14-13-11(5)9(3)10(4)12(7-2)15-13/h6,9-13H,1,7-8H2,2-5H3.
What are the key properties of 2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane?
2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane has a molecular weight of 212.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,4,5-trimethyl-6-prop-2-enoxyoxane is sourced from PubChem (CID 21339254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).