1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene

C18H24O3 — CID 22922457

IUPAC1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene
SMILESCOC12CC(C)(C)C(O1)C(OCc1ccccc1)C=C2C
InChIInChI=1S/C18H24O3/c1-13-10-15(20-11-14-8-6-5-7-9-14)16-17(2,3)12-18(13,19-4)21-16/h5-10,15-16H,11-12H2,1-4H3
InChIKeyQAFGXBFGRSLCNM-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.69
Rot. Bonds4

About 1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene

1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 22922457) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID22922457
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene
SMILESCOC12CC(C)(C)C(O1)C(OCc1ccccc1)C=C2C
InChIInChI=1S/C18H24O3/c1-13-10-15(20-11-14-8-6-5-7-9-14)16-17(2,3)12-18(13,19-4)21-16/h5-10,15-16H,11-12H2,1-4H3
InChIKeyQAFGXBFGRSLCNM-UHFFFAOYSA-N
XLogP3.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.69
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

(5-methoxy-4,7,7-trimethyl-8-oxabicyclo[3.2.1]oct-3-en-2-yl) 3-(4-hydroxyphenyl)prop-2-enoate
CID 54464546
(2S,3S,4aS,8R,8aR)-6-bromo-2,3-dimethoxy-2,3-dimethyl-8-phenylmethoxy-8,8a-dihydro-4aH-1,4-benzodioxin-5-one
CID 12987032
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
CID 121352123
(3aS,4R,5S,7aR)-2,2,7-trimethyl-5-phenylmethoxy-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 58798852
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(1S,3S,7S,9R)-5,5,11,11-tetramethyl-8-phenylmethoxy-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-ol
CID 14409479
(3aR,4R,5R,6S,7R,7aR)-2,2-dimethyl-4,7-bis(phenylmethoxy)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5,6-diol
CID 10715972
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
[(2R,3R,4S,5R,6S)-6-methoxy-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl hypochlorite
CID 70396461
2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene (CID 22922457) is 1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene is COC12CC(C)(C)C(O1)C(OCc1ccccc1)C=C2C.
What is the InChIKey of 1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is QAFGXBFGRSLCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-13-10-15(20-11-14-8-6-5-7-9-14)16-17(2,3)12-18(13,19-4)21-16/h5-10,15-16H,11-12H2,1-4H3.
What are the key properties of 1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene?
1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene has a molecular weight of 288.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,6,6-trimethyl-4-phenylmethoxy-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 22922457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).